SCHEMBL1241941

SCHEMBL1241941

CC(C)CC(C)N=C1C=CC(=Nc2ccccc2)C=C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL6817759 0.85 LMNA (0.32) ALDH1A1LMNA
SCHEMBL6208646 0.84 LMNA (0.33) ALDH1A1MAPK1LMNA
SCHEMBL6209049 0.83 LMNA (0.37) LMNA
SCHEMBL13067055 0.81 LMNA (0.40) LMNA
SCHEMBL7093744 0.80 ALDH1A1 (0.33) ALDH1A1MAPK1LMNA
SCHEMBL14150195 0.79 LMNA (0.36) ALDH1A1LMNA
SCHEMBL6209213 0.75 ALDH1A1 (0.33) ALDH1A1MAPK1LMNA
SCHEMBL755432 0.74 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1LMNA
SCHEMBL7633008 0.70 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRALOX12
SCHEMBL3398815 0.70 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726451-B1 SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS NALCO CO (US) 2017-03-22 EP claimed
US-9090526-B2 Synergistic combination for inhibiting polymerization of vinyl monomers NALCO COMPANY (US) 2015-07-28 US claimed
EP-2726451-A2 SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS Nalco Company (US) 2014-05-07 EP claimed
WO-2012173925-A2 SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS NALCO COMPANY (US) 2012-12-20 WO claimed
US-20120316369-A1 SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS ECOLAB USA INC. 2012-12-13 US claimed
WO-2011128491-A1 A ROLL FOR A FIBER WEB MACHINE METSO PAPER, INC. (FI) 2011-10-20 WO claimed
US-6533859-B2 To provide reinforcement and high levels of wear resistance, mixing properties FLEXSYS AMERICA L.P. 2003-03-18 US claimed
US-6376728-B1 OF ALKENYL MONOMERS HERCULES INCORPORATED 2002-04-23 US claimed
US-20020014185-A1 Surface treated carbon black having improved dispersability in rubber and compositions of rubber therefrom having improved processability, rheological and dynamic mechanical properties BIRLA CARBON U.S.A., INC. 2002-02-07 US claimed
US-5470440-A 2,6-di-tert-butyl-4-methylphenol and a substituted benzoquinonediimide BETZ LABORATORIES, INC. (US) 1995-11-28 US claimed
EP-3854610-B1 PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2024-04-17 EP disclosed
US-11639433-B2 Method for fabricating a rubber-based elastomeric glove/material HONEYWELL INTERNATIONAL INC. (US) 2023-05-02 US disclosed
EP-4036074-A1 METHOD FOR SUPPRESSING THE POLYMERIZATION OF UNSATURATED AROMATIC MONOMERS Evonik Operations GmbH (DE) 2022-08-03 EP disclosed
US-20210403684-A1 PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2021-12-30 US disclosed
EP-3854610-A1 PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2021-07-28 EP disclosed
EP-0446554-B1 PREPARATION OF A N-SUBSTITUTED PHENYLENEDIAMINE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-10-13 EP disclosed
US-5189218-A PREPARATION OF N-PHENYLBENZOQUINONE-IMINE AND CONVERTING SAME INTO P-PHENYLENEDIAMINES RHONE-POULENC CHIMIE (FR) 1993-02-23 US disclosed
US-5068439-A Chemical intermediates for dyes, drugs, agricultural products and as antoxidants or stabilizers for rubbers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-11-26 US disclosed
EP-0446554-A1 Preparation of a N-substituted phenylenediamine THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-09-18 EP disclosed
US-4968843-A FROM 4-HYDROXYDIPHENYLAMINE; EXCELLENT YIELDS OF HIGH PURITY THE GOODYEAR TIRE & RUBBER COMPANY (US) 1990-11-06 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-20120316369-A1 SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS QDPR, SDHA, BLVRB ALDH1A1 613/4885CYP3A4 797/4885ALOX15 1267/4885

“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.