SCHEMBL6784299

SCHEMBL6784299

C/C(=C/C(=O)Cl)c1cc2ccccc2oc1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.68
KDM4E B2RXH2 6/20 0.68
CYP1A2 P05177 3/20 0.68
CA12 O43570 2/20 0.68
CA9 Q16790 2/20 0.68
NT5E P21589 1/20 0.68
CA1 P00915 1/20 0.60
CA3 P07451 1/20 0.60
TSHR P16473 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
GPR35 Q9HC97 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
ALDH1A1 P00352 5/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 2/20 0.56
MAOA P21397 5/20 0.55

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 SCHEMBL6784307 0.87 MAOB (0.66) MAOBKDM4ECYP1A2CA12CA9
SCHEMBL6783774 0.82 FLT3 (0.57) TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL7862219 0.81 MAOB (0.72) MAOBKDM4ECYP1A2CA12CA9
3-Acetylcoumarin SCHEMBL31097378 0.81 MAOB (1.00) MAOBKDM4ECYP1A2CA12CA9
3-Acetylcoumarin SCHEMBL181862 0.81 MAOB (1.00) MAOBKDM4ECYP1A2CA12CA9
SCHEMBL16339253 0.78 MAOB (0.72) MAOBKDM4ECYP1A2CA12CA9
SCHEMBL4021278 0.78 NPC1 (0.69) MAOBKDM4ECYP1A2CA12CA9
SCHEMBL29539474 0.77 MAOB (0.77) MAOBKDM4ECYP1A2CA12CA9
SCHEMBL279860 0.77 MAOB (0.77) MAOBKDM4ECYP1A2CA12CA9
SCHEMBL34468463 0.77 MAOB (0.77) MAOBKDM4ECYP1A2CA12CA9

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 MAOB 2340/4885KDM4E 1243/4885CYP1A2 980/4885

“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.