SCHEMBL13086387

SCHEMBL13086387

c1ccc(CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
TSHR P16473 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL4379654 0.86 SIGMAR1 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11798244 0.84 MAOA (0.50) HTR2AMAOAMAOBSIGMAR1
SCHEMBL13086440 0.82 SIGMAR1 (0.50) MAOAMAOBSIGMAR1
SCHEMBL14781559 0.82 SIGMAR1 (0.50) MAOAMAOBSIGMAR1
SCHEMBL837703 0.81 TSHR (0.36) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL13448099 0.81 CA1 (0.40) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8675805 0.80 PPARA (0.46) ALDH1A1TSHR
SCHEMBL22388293 0.79 OPRM1 (0.33) MAOAMAOB
SCHEMBL4309885 0.78 TSHR (0.35) ALDH1A1LOXL2TSHR
SCHEMBL2441612 0.78 TSHR (0.35) ALDH1A1LOXL2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102282192-B Soluble imide skeleton resin, soluble imide skeleton resin solution composition, curable resin composition, and cured product thereof MITSUBISHI CHEM CORP 2014-08-06 CN disclosed
CN-102282192-A Soluble imide skeleton resin, soluble imide skeleton resin solution composition, curable resin composition, and cured product thereof 2011-12-14 CN disclosed
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
CN-100575413-C Modified epoxy resin composition NISSAN CHEMICAL IND LTD 2009-12-30 CN disclosed
CN-100417678-C Method of modifying a fluoropolymer and articles thereby 3M INNOVATIVE PROPERTIES CO (US) 2008-09-10 CN disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 US disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 US disclosed
CN-1643053-A Thermoplastic resin composition and method for improving appearance GEN ELECTRIC (US) 2005-07-20 CN disclosed
CN-1026112-C Process of preparing hydroxyalkylxanthines and medicines containing them and uses thereof HOECHST AG (DE) 1994-10-05 CN disclosed
CN-86105835-A Preparation method of tertiary hydroxyalkyl xanthines, medicine containing tertiary hydroxyalkyl xanthines and application thereof 1987-01-14 CN disclosed
CN-85101353-A Preparation has the method for the pyridine-2-ether or the pyridine-2-sulfide compound of nitrogenous alicyclic ring 1986-10-15 CN 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA ALDH1A1 302/4885HPGD 394/4885ALOX15 1649/4885
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents BIRC3, API5, BID ALDH1A1 4507/4885HPGD 2557/4885ALOX15 4491/4885
US-20100261914-A1 IAP BINDING COMPOUNDS BIRC3, BIRC5, BIRC2 ALDH1A1 4654/4885HPGD 2355/4885ALOX15 4457/4885

“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.