SCHEMBL1925968

SCHEMBL1925968

c1ccc2cc(Pc3ccc4ccccc4c3-c3c(Pc4ccc5ccccc5c4)ccc4ccccc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CYP2A6 P11509 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 1/20 0.39
HPRT1 P00492 1/20 0.37
WDR5 P61964 1/20 0.35
DNMT1 P26358 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL29583781 1.00 MAPT (0.40) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL2824075 0.82 HSD17B10 (0.44) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL29489771 0.82 HSD17B10 (0.44) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL29489770 0.82 HSD17B10 (0.44) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL2079041 0.80 TSHR (0.39) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL29583333 0.80 TSHR (0.39) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL1925137 0.80 GAA (0.38) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL29584848 0.80 GAA (0.38) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL301064 0.79 CYP2A6 (0.40) MAPTCYP2A6ALDH1A1HSD17B10TDP1
Hydrochloric Acid SCHEMBL7943427 0.77 TSHR (0.37) MAPTCYP2A6ALDH1A1HSD17B10TDP1

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 9 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
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 MAPT 2709/4885CYP2A6 1034/4885ALDH1A1 277/4885
US-20070265448-A1 Ruthenium Complex and Process for Producing Tert-Alkyl Alcohol Therewith TERT, ADH1C, ADH1A MAPT 2712/4885CYP2A6 1259/4885ALDH1A1 366/4885
US-20100029977-A1 CYANATION CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANHYDRIN COMPOUND USING THE SAME TYR, IK, CYB5R3 MAPT 4253/4885CYP2A6 1455/4885ALDH1A1 2995/4885

“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.