SCHEMBL321122

SCHEMBL321122

Cc1ccc(-c2[c]c3ccccc3cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
CTRC Q99895 1/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 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
SCHEMBL3149589 0.84 ALDH1A1 (0.38) TDP1ALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL2152944 0.84 TDP1 (0.44) TDP1CYP2A6ALDH1A1HPGDSMN1; SMN2
SCHEMBL79020 0.84 ALDH1A1 (0.35) TDP1CYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL2102041 0.83 CYP2A6 (0.38) TDP1CYP2A6ALDH1A1HPGDSMN1; SMN2
SCHEMBL7139286 0.81 ALDH1A1 (0.41) TDP1CYP2A6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28957329 0.81 CYP1A2 (0.41) CYP2A6ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL8359885 0.81 MEN1 (0.42) TDP1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL8325832 0.81 CYP1A2 (0.39) CYP2A6HPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL9418157 0.81 ESR1 (0.47) ALDH1A1HPGDCYP1A2HSD17B10RAB9A
SCHEMBL4156055 0.80 CYP2A6 (0.39) TDP1CYP2A6ALDH1A1HPGDSMN1; SMN2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233138-B2 Compositions for promoting HIV-1 virolysis and methods using same DREXEL UNIVERSITY (US) 2016-01-12 US claimed
EP-1660404-A2 HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-05-31 EP claimed
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP claimed
US-20050013767-A1 dispenser for dispensing first liquid and retrieving second liquid comprising first conduit for dispensing first liquid and second conduit for retrieving second liquid in direction countercurrent to first liquid; for hydrogen storage liquids comprising partially hydrogenated pi-conjugated substrates AIR PRODUCTS AND CHEMICALS, INC. 2005-01-20 US claimed
WO-2005000457-A2 HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-01-06 WO claimed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO claimed
EP-2960204-A1 HYDROGEN STORAGE BY REVERSIBLE HYDROGENATION OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-12-30 EP disclosed
EP-2590935-A1 PROCESS FOR MAKING NITRILES Invista Technologies S.a r.l. (CH) 2013-05-15 EP disclosed
EP-1849778-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND, COMPLEX FOR USE IN THE PROCESS, AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2013-04-24 EP disclosed
US-8410295-B2 Method for production of optically active epoxy compound, and complex used therefor and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-04-02 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-12 US disclosed
US-8217184-B2 Process for producing optically active cis-silyl olefin oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-07-10 US disclosed
EP-1283441-A1 Chemically sensitized aqueous-based photothermographic emulsions and materials and methods of using same EASTMAN KODAK COMPANY (US) 2003-02-12 EP disclosed
US-6441174-B1 REACTING PERYLENE-3,4,9,10-TETRACARBOXIMIDE OR DERIVATIVES WITH FORMALDEHYDE TO FORM BIS(HYDROXYMETHYL)PERYLENE-3,4,9,10-TETRACARBOXIMIDE, WHICH FURTHER REACTS WITH A PRECURSOR OF ORGANIC REDICALS CIBA SPECIALTY CHEMICALS CORPORATION 2002-08-27 US disclosed
US-6340552-B1 AS PHOTORESISTS IN MANUFACTURING SEMICONDUCTORS KABUSHIKI KAISHA TOSHIBA (JP) 2002-01-22 US disclosed
US-5372914-A Pattern forming method KABUSHIKI KAISHA TOSHIBA (JP) 1994-12-13 US disclosed
US-5348838-A Photoresist KABUSHIKI KAISHA TOSHIBA (JP) 1994-09-20 US disclosed
US-5332648-A Alklali soluble phenolic polymer, cyclic ester or sulfonate which converts to the acid, an onium salt which generates an an acid on exposure to radiation KABUSHIKI KAISHA TOSHIBA (JP) 1994-07-26 US disclosed
US-5130058-A Reversable coloring compounds with heat stability for lasers, photography, optical filters, decorations and displays TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1992-07-14 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 (1 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-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME CYP4F11, CYP51A1, COASY TDP1 4140/4885CYP2A6 212/4885ALDH1A1 2091/4885

“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.