SCHEMBL408645

SCHEMBL408645

O=C/C=C/c1cccc(-c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
TRPA1 O75762 1/20 0.65
LMNA P02545 1/20 0.65
ALOX5 P09917 1/20 0.65
MAPK1 P28482 1/20 0.65
CCNB2 O95067 3/20 0.58
CDK1 P06493 3/20 0.58
CDK4 P11802 3/20 0.58
CCNB1 P14635 3/20 0.58
CCND1 P24385 3/20 0.58
CCNB3 Q8WWL7 3/20 0.58
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
XDH P47989 1/20 0.46
MAOB P27338 2/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42

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
SCHEMBL9421099 1.00 ALDH1A1 (0.65) ALDH1A1TRPA1LMNAALOX5MAPK1
Acrylic Acid SCHEMBL29184905 0.88 TRPA1 (0.52) ALDH1A1TRPA1LMNAALOX5MAPK1
Biphenyl SCHEMBL4693704 0.87 ALDH1A1 (0.86) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL9131419 0.85 MAOB (0.64) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL31114357 0.83 CDK4 (0.72) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL5889919 0.81 CCNB2 (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889921 0.81 CCNB2 (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889707 0.81 CCNB2 (0.73) ALDH1A1CCNB2CDK1CDK4CCNB1
SCHEMBL5889708 0.81 CCNB2 (0.73) ALDH1A1CCNB2CDK1CDK4CCNB1
SCHEMBL334479 0.81 ALDH1A1 (0.74) ALDH1A1TRPA1LMNAALOX5MAPK1

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
US-4709107-A Process for producing nitrones GENERAL ELECTRIC COMPANY (US) 1987-11-24 US claimed
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. 2015-12-03 US disclosed
US-8877353-B2 Platinum (II) tetradentate ONCN complexes for organic light-emitting diode applications VERSITECH LIMITED (HK) 2014-11-04 US disclosed
WO-2014031755-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO disclosed
US-20120018711-A1 PLATINUM (II) TETRADENTATE ONCN COMPLEXES FOR ORGANIC LIGHT-EMITTING DIODE APPLICATIONS THE UNIVERSITY OF HONG KONG (HK) 2012-01-26 US disclosed
WO-2012009957-A1 PLATINUM(II) TETRADENTATE O-N-C-N COMPLEXES FOR ORGANIC LIGHT-EMITTING DIODE APPLICATIONS VERSITECH LIMITED (CN) 2012-01-26 WO disclosed
EP-0892805-A1 PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 1999-01-27 EP disclosed
WO-1997039002-A1 PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-23 WO disclosed
US-5332857-A 3,5-dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1994-07-26 US disclosed
EP-0312269-B1 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1993-06-16 EP disclosed
US-5151545-A 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1992-09-29 US disclosed
WO-1989003212-A1 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1989-04-20 WO disclosed
EP-0312269-A2 3,5-Dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-04-19 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 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 (2 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-20120018711-A1 PLATINUM (II) TETRADENTATE ONCN COMPLEXES FOR ORGANIC LIGHT-EMITTING DIODE APPLICATIONS PPOX, OCIAD2, PTN ALDH1A1 1507/4885TRPA1 1074/4885LMNA 3508/4885
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF KRAS, RASSF5, RASSF2 ALDH1A1 577/4885TRPA1 4135/4885LMNA 2538/4885

“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.