SCHEMBL6791067

SCHEMBL6791067

CO/C(=C/c1ccc2ccccc2c1)C(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
MAPT P10636 1/20 0.45
AKR1C3 P42330 1/20 0.45
NQO2 P16083 2/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 2/20 0.42

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
Hydrochloric Acid SCHEMBL6791073 0.84 AKR1C3 (0.51) APPMAPTAKR1C3NQO2PTGS1
SCHEMBL1569429 0.80 ABCG2 (0.51) MAPTAKR1C3
SCHEMBL7072648 0.80 ABCG2 (0.51) MAPTAKR1C3
SCHEMBL7068438 0.80 ABCG2 (0.51) MAPTAKR1C3
SCHEMBL6780337 0.79 DHODH (0.49) AKR1C3NQO2PTGS1
SCHEMBL22231419 0.78 PTGS2 (0.49) MAPTPTGS2
SCHEMBL27512287 0.76 DHODH (0.50) APPMAPTAKR1C3NQO2PTGS1
SCHEMBL27536182 0.76 DHODH (0.50) APPMAPTAKR1C3NQO2PTGS1
SCHEMBL28909913 0.74 ALDH1A1 (0.53) MAPTNQO2PTGS1
SCHEMBL11685334 0.74 PTGS2 (0.55) APPMAPTAKR1C3NQO2PTGS2

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 APP 3464/4885MAPT 1221/4885AKR1C3 1239/4885

“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.