SCHEMBL6785122

SCHEMBL6785122

COc1ccc2cc(/C(C)=C\C(=O)Cl)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
CYP1A2 P05177 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLAU P00749 2/20 0.47
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
CYP3A4 P08684 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL11157055 0.87 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL11739013 0.87 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL6962052 0.86 KDM4E (0.65) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL6962047 0.86 KDM4E (0.65) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL6962058 0.86 KDM4E (0.65) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL28613089 0.84 KDM4E (0.58) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL986740 0.84 KDM4E (0.58) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL12900045 0.84 KDM4E (0.58) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL6785127 0.84 KDM4E (0.63) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL986741 0.84 KDM4E (0.58) KDM4ECYP1A2ALDH1A1HPGDCYP2C19

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 KDM4E 1243/4885CYP1A2 980/4885ALDH1A1 102/4885

“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.