SCHEMBL1494552

SCHEMBL1494552

CC(C)c1ccc(C(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.48
HTT P42858 2/20 0.48
CYP2C9 P11712 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 1/20 0.43
PTGS1 P23219 2/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 2/20 0.41
UGT2B7 P16662 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
USP5 P45974 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MGLL Q99685 1/20 0.39
ESR1 P03372 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrogen Peroxide SCHEMBL461155 0.83 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
Hydrogen Peroxide SCHEMBL182135 0.83 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
Hydrogen Peroxide SCHEMBL20915049 0.83 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
SCHEMBL104124 0.83 TYR (0.58) TYRHTTCYP2C9HIF1ACYP2D6
SCHEMBL2376299 0.83 ESR1 (0.35) CYP2C9HIF1AKDM4EMAPK1ALDH1A1
SCHEMBL15581117 0.81 NOS3 (0.48) HIF1AKDM4EALDH1A1UGT2B7LMNA
SCHEMBL114216 0.81 UGT2B7 (0.52) TYRHTTCYP2C9HIF1ACYP2D6
Hydrogen Peroxide SCHEMBL20534035 0.80 TYR (0.52) TYRHTTCYP2C9HIF1ACYP2D6
Ammonia Solution, Strong SCHEMBL7550588 0.79 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
Water SCHEMBL11726962 0.79 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260014514-A1 METHOD FOR SCAVENGING HYDROGEN SULFIDE FROM A GASEOUS COMPOSITION IN A STIRRED TANK REACTOR KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-01-15 US disclosed
US-12268984-B1 Process for removing hydrogen sulfide from sour gases with ZIF-8 mixed metal hydroxides composites KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2025-04-08 US disclosed
CN-119236957-A Rare earth modified oxide catalyst taking copper-aluminum hydrotalcite as precursor, and preparation method and application thereof 大连理工大学 2025-01-03 CN disclosed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 US disclosed
US-11015216-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates PROMEGA CORPORATION (US) 2021-05-25 US disclosed
US-20210008071-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2021-01-14 US disclosed
US-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2021-01-14 US disclosed
US-20200263229-A1 COELENTERAZINE ANALOGUES PROMEGA CORPORATION 2020-08-20 US disclosed
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
US-8846705-B2 Diaminopyrimidines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
US-8524725-B2 Methods of using diaminopyrimidine as P2X3 and P2X⅔ receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC (US) 2013-09-03 US disclosed
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2013-08-29 US disclosed
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC. 2012-05-17 US disclosed
US-8008313-B2 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC (US) 2011-08-30 US disclosed
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC 2011-03-31 US disclosed
US-7858632-B2 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC (US) 2010-12-28 US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 US disclosed
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20050209260-A1 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TYR 804/4885HTT 3590/4885CYP2C9 661/4885
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L TYR 701/4885HTT 1380/4885CYP2C9 80/4885
US-20210008071-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 TYR 2094/4885HTT 4327/4885CYP2C9 1118/4885
US-20050209260-A1 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine P2RX3, P2RX2, P2RX1 TYR 887/4885HTT 4349/4885CYP2C9 910/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TYR 804/4885HTT 3590/4885CYP2C9 661/4885
US-11015216-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates GLB1, PGLS, AADAC TYR 1311/4885HTT 4748/4885CYP2C9 1954/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TYR 804/4885HTT 3590/4885CYP2C9 661/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 TYR 2094/4885HTT 4327/4885CYP2C9 1118/4885
US-20200263229-A1 COELENTERAZINE ANALOGUES AADAC, GLB1, PGLS TYR 1304/4885HTT 4433/4885CYP2C9 2602/4885
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TYR 991/4885HTT 3153/4885CYP2C9 769/4885
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TYR 804/4885HTT 3590/4885CYP2C9 661/4885
US-20260014514-A1 METHOD FOR SCAVENGING HYDROGEN SULFIDE FROM A GASEOUS COMPOSITION IN A STIRRED TANK REACTOR SOD1, MAFG, HMOX2 TYR 771/4885HTT 1742/4885CYP2C9 3459/4885
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX6 TYR 1735/4885HTT 4271/4885CYP2C9 1142/4885
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 TYR 2094/4885HTT 4327/4885CYP2C9 1118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.