SCHEMBL6790462

SCHEMBL6790462

O=C(Cl)/C=C/Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
TBXA2R P21731 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGFR P43088 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PTGDR Q13258 1/20 0.44
CYP2A6 P11509 1/20 0.43
GPR52 Q9Y2T5 1/20 0.42
PDPK1 O15530 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
ALOX5 P09917 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL6214767 0.85 TBXA2R (0.56) CYP1A2TBXA2RPTGER4PTGFRPTGER3
SCHEMBL6214765 0.85 TBXA2R (0.56) CYP1A2TBXA2RPTGER4PTGFRPTGER3
SCHEMBL30513113 0.81 GPR52 (0.57) CYP1A2TBXA2RPTGER4PTGFRPTGER3
SCHEMBL14349796 0.80 KMT2A (0.45) CYP1A2TBXA2RPTGER4PTGFRPTGER3
SCHEMBL28300391 0.78 MAOB (0.56) GPR52ALDH1A1CYP2C19KMT2A
SCHEMBL6777638 0.77 CCNC (0.48) CYP1A2CYP2A6ALDH1A1
SCHEMBL6777641 0.77 CCNC (0.48) CYP1A2CYP2A6ALDH1A1
SCHEMBL27513684 0.77 CYP1A2 (0.50) CYP1A2CYP2A6PDPK1KMT2AALOX5
SCHEMBL27536056 0.77 CYP1A2 (0.50) CYP1A2CYP2A6PDPK1KMT2AALOX5
SCHEMBL27536060 0.77 CYP2A6 (0.50) CYP1A2CYP2A6PDPK1KMT2ASIGMAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US disclosed
EP-1261321-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-12-04 EP disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 US disclosed
WO-2001007020-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-01 WO 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 (1 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 CYP1A2 980/4885TBXA2R 782/4885PTGER4 1874/4885

“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.