SCHEMBL2845018

SCHEMBL2845018

c1ccc2c([C](c3c4ccccc4cc4ccccc34)c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
CYP1A2 P05177 5/20 0.62
HSD17B10 Q99714 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HPGD P15428 3/20 0.62
KDM4E B2RXH2 2/20 0.62
GLA P06280 1/20 0.62
CYP2C19 P33261 1/20 0.62
TRPM4 Q8TD43 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1B1 Q16678 1/20 0.48
HTR2A P28223 1/20 0.46
NQO2 P16083 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 1/20 0.43
ACHE P22303 2/20 0.43
CYP2A6 P11509 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43

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
Anthracene-9-Carboxylic Acid SCHEMBL29352186 0.77 MEN1 (1.00) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL1478795 0.77 MEN1 (0.61) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
Anthracene-9-Carboxylic Acid SCHEMBL122832 0.77 MEN1 (1.00) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL4899613 0.77 ALDH1A1 (0.68) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL23079083 0.75 ALDH1A1 (0.65) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
Anthracene-9-Carboxylic Acid SCHEMBL7054301 0.75 MEN1 (0.95) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL21164724 0.75 ALDH1A1 (0.54) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20669622 0.75 ALDH1A1 (0.65) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL2891981 0.75 ALDH1A1 (0.65) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL67303 0.75 ALDH1A1 (0.65) ALDH1A1CYP1A2HSD17B10MEN1KMT2A

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
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
EP-2646150-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME Takasago International Corporation (JP) 2013-10-09 EP disclosed
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 EP disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
EP-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 WO disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 EP disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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 (4 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 ALDH1A1 223/4885CYP1A2 1183/4885HSD17B10 1093/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ALDH1A1 122/4885CYP1A2 2014/4885HSD17B10 1164/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ALDH1A1 61/4885CYP1A2 694/4885HSD17B10 928/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 ALDH1A1 79/4885CYP1A2 125/4885HSD17B10 237/4885

“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.