SCHEMBL1494078

SCHEMBL1494078

COc1cc(C)c(C=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 2/20 0.68
TSHR P16473 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
PRKDC P78527 2/20 0.61
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ERN1 O75460 5/20 0.50
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
HMGCR P04035 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL29818672 0.89 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL697093 0.89 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL282147 0.89 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL24311483 0.89 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL5698339 0.85 ALDH1A1 (0.81) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1039129 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29953159 0.84 ERN1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL2859718 0.84 PRKDC (0.58) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL5355474 0.84 ERN1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4621361 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109781901-A The efficient liquid phase chromatographic analysis detection method of impurity in a kind of 3,4- dimethoxy benzaldehyde 山东新华制药股份有限公司 2019-05-21 CN claimed
CN-106083653-A The synthetic method of Ormetoprim intermediate cinnamonitrile 江苏天和制药有限公司 2016-11-09 CN claimed
CN-104447574-A Method for the synthesizing ormetoprim SUZHOU BUYUE PHARMACEUTICAL CO LTD 2015-03-25 CN claimed
CN-120097912-A Quinolinone derivative and preparation method thereof 湖南大学 2025-06-06 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-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-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2021-01-14 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-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-5219848-A Bactericides ICI PHARMA (FR) 1993-06-15 US disclosed
EP-0412763-A2 Cephalosporins, processes for their preparation, pharmaceutical compositions containing them and intermediates therefor ZENECA LIMITED (GB) 1991-02-13 EP disclosed
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed
US-4216319-A Synthesis of 2,4-diamino-5-benzylpyrimidines using benzyl cyanoacetal intermediates BURROUGHS WELLCOME CO. (US) 1980-08-05 US disclosed
US-4144263-A Benzyl cyanoacetals BURROUGHS WELLCOME CO. (US) 1979-03-13 US disclosed
US-4115650-A Process for preparing 2,4-diamino-5-(substituted benzyl)-pyrimidines HOFFMANN-LA ROCHE INC. (US) 1978-09-19 US disclosed
US-4052553-A BACTERICIDE, ANTIMALARIAL BURROUGHS WELLCOME CO. (US) 1977-10-04 US disclosed
US-3950236-A OXIDATION, ALKYL-ALKOXY-BIBENZYL COMPOUNDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH, EDUCATION AND WELFARE (US) 1976-04-13 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 (6 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 ALDH1A1 2017/4885KDM4E 3345/4885TSHR 1029/4885
US-20210008071-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 ALDH1A1 2230/4885KDM4E 3901/4885TSHR 533/4885
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885KDM4E 3345/4885TSHR 1029/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885KDM4E 3345/4885TSHR 1029/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 ALDH1A1 2230/4885KDM4E 3901/4885TSHR 533/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885KDM4E 3345/4885TSHR 1029/4885

“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.