SCHEMBL1925137

SCHEMBL1925137

CC(C)c1ccc(Pc2ccc3ccccc3c2-c2c(Pc3ccc(C(C)C)cc3)ccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
UGT2B7 P16662 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 4/20 0.36
CYP2D6 P10635 4/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 3/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DNMT1 P26358 1/20 0.34
AKR1B1 P15121 1/20 0.33
KIF11 P52732 1/20 0.33
CYP3A4 P08684 4/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL29584848 1.00 GAA (0.38) GAAUGT2B7MAPTTSHRCYP2D6
SCHEMBL29583333 0.81 TSHR (0.39) MAPTTSHRHIF1ACYP1A2MEN1
SCHEMBL2079041 0.81 TSHR (0.39) MAPTTSHRHIF1ACYP1A2MEN1
SCHEMBL29489770 0.81 HSD17B10 (0.44) MAPTTSHRHIF1ACYP1A2CYP2A6
SCHEMBL2824075 0.81 HSD17B10 (0.44) MAPTTSHRHIF1ACYP1A2CYP2A6
SCHEMBL29489771 0.81 HSD17B10 (0.44) MAPTTSHRHIF1ACYP1A2CYP2A6
SCHEMBL29583781 0.80 MAPT (0.40) MAPTTSHRCYP2D6HIF1ACYP1A2
SCHEMBL1925968 0.80 MAPT (0.40) MAPTTSHRCYP2D6HIF1ACYP1A2
Hydrochloric Acid SCHEMBL7943424 0.79 RAB9A (0.40) MAPTTSHRHIF1ACYP1A2MEN1
Hydrochloric Acid SCHEMBL7943427 0.79 TSHR (0.37) MAPTTSHRHIF1ACYP1A2MEN1

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 GAA 4358/4885UGT2B7 1833/4885MAPT 2709/4885
US-20070265448-A1 Ruthenium Complex and Process for Producing Tert-Alkyl Alcohol Therewith TERT, ADH1C, ADH1A GAA 4868/4885UGT2B7 188/4885MAPT 2712/4885
US-20100029977-A1 CYANATION CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANHYDRIN COMPOUND USING THE SAME TYR, IK, CYB5R3 GAA 3206/4885UGT2B7 1725/4885MAPT 4253/4885

“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.