SCHEMBL1493968

SCHEMBL1493968

CC(C)c1ccc(Br)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
PTGS1 P23219 1/20 0.59
CACNA1C Q13936 1/20 0.59
ALDH1A1 P00352 2/20 0.52
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
HIF1A Q16665 2/20 0.52
GAA P10253 2/20 0.52
TYR P14679 3/20 0.52
RNASEH1 O60930 1/20 0.48
TDP1 Q9NUW8 5/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 2/20 0.44
MDM4 O15151 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL23258806 0.84 TRPA1 (0.52) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL21408578 0.82 TRPA1 (0.39) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL1438719 0.82 GAA (0.57) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL1758484 0.79 KDM1A (0.38) TRPA1PTGS1CACNA1CHIF1AGAA
SCHEMBL339292 0.78 TRPA1 (0.67) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL6895537 0.78 LMNA (0.44) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL29362968 0.78 TRPA1 (0.67) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL172232 0.78 TRPA1 (0.67) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL29661836 0.78 LMNA (0.44) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL11511505 0.77 ALOX15 (0.42) TRPA1PTGS1CACNA1CALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN claimed
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN disclosed
EP-4661966-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF Type6 Therapeutics, Inc. (US) 2025-12-17 EP disclosed
CN-116217599-B Boron nitride compound, application and organic electroluminescent device comprising boron nitride compound 浙江华显光电科技有限公司 2025-04-08 CN disclosed
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2025-02-27 US disclosed
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2025-01-23 US disclosed
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals, Inc. (US) 2024-08-29 US disclosed
WO-2024167848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF TYPE6 THERAPEUTICS, INC. (US) 2024-08-15 WO disclosed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
CN-114621269-B Condensed ring aromatic compound and application thereof in electroluminescent device 清华大学 2024-04-09 CN disclosed
WO-2007025925-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO 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-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-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-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
EP-1725540-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
CN-1816536-A Cannabinoid receptor modulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-08-09 CN disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
WO-2005095359-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO 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 (7 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF TRPA1 4672/4885PTGS1 2743/4885CACNA1C 4598/4885
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TRPA1 183/4885PTGS1 1409/4885CACNA1C 903/4885
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 TRPA1 104/4885PTGS1 826/4885CACNA1C 964/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 TRPA1 234/4885PTGS1 840/4885CACNA1C 1308/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TRPA1 183/4885PTGS1 1409/4885CACNA1C 903/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 TRPA1 234/4885PTGS1 840/4885CACNA1C 1308/4885
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 TRPA1 24/4885PTGS1 375/4885CACNA1C 916/4885

“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.