SCHEMBL1925928

SCHEMBL1925928

c1ccc2c(Pc3ccc4ccccc4c3-c3c(Pc4cccc5ccccc45)ccc4ccccc34)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 6/20 0.44
CYP2A6 P11509 5/20 0.44
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPRT1 P00492 1/20 0.41
MAPT P10636 1/20 0.39
WDR5 P61964 1/20 0.38
CYP1A2 P05177 5/20 0.38
HPGD P15428 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP1B1 Q16678 1/20 0.38
THRB P10828 1/20 0.38
DNMT1 P26358 1/20 0.37
CYP3A4 P08684 2/20 0.37
KEAP1 Q14145 1/20 0.37
MAPK1 P28482 2/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL29585116 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30066582 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL939704 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5183148 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL184339 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL3809505 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL28717387 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL482437 0.80 DNMT1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2824075 0.79 HSD17B10 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29489771 0.79 HSD17B10 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123357-B1 CYANATION CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANHYDRIN COMPOUND USING THE SAME UNIV HOKKAIDO NAT UNIV CORP (JP) 2013-04-17 EP disclosed
US-8163947-B2 Cyanation catalyst and method for producing optically active cyanhydrin compound using the same NATIONAL UNIVERSITY CORPORATION, HOKKAIDO UNIVERSITY (JP) 2012-04-24 US disclosed
EP-1813621-B1 RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING TERT-ALKYL ALCOHOL THEREWITH NAGOYA IND SCIENCE RES INST (JP) 2011-06-08 EP disclosed
US-20100029977-A1 CYANATION CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANHYDRIN COMPOUND USING THE SAME NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2010-02-04 US disclosed
EP-2123357-A1 CYANATION CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANHYDRIN COMPOUND USING THE SAME National University Corporation Hokkaido University (JP) 2009-11-25 EP disclosed
US-7378560-B2 Ruthenium complex and process for producing tert-alkyl alcohol therewith KANTO KANGAKU KABUSHIKI KAISHA (JP) 2008-05-27 US disclosed
US-20070265448-A1 Ruthenium Complex and Process for Producing Tert-Alkyl Alcohol Therewith KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-11-15 US disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1813621-A1 RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING TERT-ALKYL ALCOHOL THEREWITH Nagoya Industrial Science Research Institute (JP) 2007-08-01 EP disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 EP 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 ALDH1A1 277/4885HSD17B10 88/4885CYP2A6 1034/4885
US-20070265448-A1 Ruthenium Complex and Process for Producing Tert-Alkyl Alcohol Therewith TERT, ADH1C, ADH1A ALDH1A1 366/4885HSD17B10 297/4885CYP2A6 1259/4885
US-20100029977-A1 CYANATION CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANHYDRIN COMPOUND USING THE SAME TYR, IK, CYB5R3 ALDH1A1 2995/4885HSD17B10 1269/4885CYP2A6 1455/4885

“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.