SCHEMBL6103175

SCHEMBL6103175

COc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 1/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
CYP3A4 P08684 2/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 2/20 0.55
PPARG P37231 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL1128828 0.87 MAPT (0.62) POLBMAPTSMN1; SMN2GAAKDM4E
SCHEMBL11306685 0.86 LMNA (0.63) POLBMAPTGAAHTTNPSR1
SCHEMBL29229971 0.86 POLB (0.64) POLBMAPTSMN1; SMN2GAAKDM4E
SCHEMBL10713056 0.85 RORC (0.56) POLBKDM4ETSHRLMNAALDH1A1
SCHEMBL23409104 0.85 POLB (0.56) POLBMAPTSMN1; SMN2KDM4EHTT
SCHEMBL14419510 0.84 KCNMA1 (0.64) POLBMAPTSMN1; SMN2HSD17B10ALOX15
SCHEMBL11590852 0.84 POLB (0.67) POLBMAPTMAPK1HTTNPSR1
SCHEMBL11289664 0.84 MEN1 (0.71) POLBMAPTKDM4EHTTNPSR1
SCHEMBL30785077 0.83 TP53 (0.66) POLBMAPTSMN1; SMN2GAAKDM4E
SCHEMBL8751765 0.83 HPGD (0.69) POLBMAPTSMN1; SMN2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US disclosed
EP-3095487-A1 FIRE EXTINGUISHING COMPOSITION COMPRISING ALDOKETONES COMPOUND Xi'an J&R Fire Fighting Equipment Co., Ltd. (CN) 2016-11-23 EP disclosed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US disclosed
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-10 US disclosed
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-10 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20060004062-A1 Compounds for inhibiting insulin secretion and methods related thereto MITOKOR (US) 2006-01-05 US disclosed
US-6958352-B2 Compounds for inhibiting insulin secretion and methods related thereto SMITHKLINE BEECHAM CORPORATION (US) 2005-10-25 US disclosed
EP-1472214-A2 COMPOUNDS FOR INHIBITING INSULIN SECRETION AND METHODS RELATED THERETO SmithKline Beecham Corporation (US) 2004-11-03 EP disclosed
US-20040044049-A1 Compounds for inhibiting insulin secretion and methods related thereto MITOKOR 2004-03-04 US disclosed
WO-2003066035-A2 COMPOUNDS FOR INHIBITING INSULIN SECRETION AND METHODS RELATED THERETO SMITHKLINE BEECHAM CORPORATION (US) 2003-08-14 WO disclosed
US-4006243-A FUNGICIDE, BACTERICIDE, YEAST SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (3 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-20060004062-A1 Compounds for inhibiting insulin secretion and methods related thereto IAPP, GPR119, INSR POLB 4146/4885MAPT 3794/4885SMN1; SMN2 2997/4885
US-20040044049-A1 Compounds for inhibiting insulin secretion and methods related thereto IAPP, GPR119, IRS1 POLB 3780/4885MAPT 3914/4885SMN1; SMN2 2753/4885
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS NAAA, AADAC, NISCH POLB 2837/4885MAPT 2706/4885SMN1; SMN2 4555/4885

“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.