SCHEMBL3435243

SCHEMBL3435243

C=CCN(CC=C)c1ccc(N(CC=C)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.41
CYP1A2 P05177 1/20 0.41
ESR1 P03372 1/20 0.39
S1PR1 P21453 1/20 0.38
TSHR P16473 2/20 0.36
UTS2R Q9UKP6 1/20 0.36
DHFR P00374 2/20 0.36
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL83762 0.91 CHKA (0.46) CHKACYP1A2ESR1S1PR1TSHR
SCHEMBL11032897 0.91 CHKA (0.46) CHKACYP1A2ESR1S1PR1TSHR
Hydrochloric Acid SCHEMBL4050783 0.89 CHKA (0.44) CHKACYP1A2ESR1S1PR1TSHR
Ammonia Solution, Strong SCHEMBL7942696 0.89 CHKA (0.44) CHKACYP1A2ESR1S1PR1TSHR
SCHEMBL39946 0.89 ESR1 (0.44) CYP1A2ESR1S1PR1TSHRKDM4E
Benzene SCHEMBL27985319 0.89 ESR1 (0.44) CYP1A2ESR1S1PR1TSHRKDM4E
SCHEMBL9818045 0.89 ESR1 (0.44) CYP1A2ESR1S1PR1TSHRKDM4E
Nitrogen SCHEMBL11130833 0.87 CHKA (0.43) CHKACYP1A2ESR1S1PR1TSHR
Water SCHEMBL10786878 0.87 ESR1 (0.43) CYP1A2ESR1S1PR1TSHRKDM4E
Ammonia Solution, Strong SCHEMBL28398668 0.87 ESR1 (0.43) CYP1A2ESR1S1PR1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5213699-A For lubricants, heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1993-05-25 US claimed
EP-0538195-A2 N-Allyl/benzyl substituted phenylenediamine stabilizers CIBA-GEIGY AG (CH) 1993-04-21 EP claimed
JP-5279304-A None JP disclosed
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
EP-2245123-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME Chemtura Corporation (US) 2010-11-03 EP disclosed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed
US-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants GREAT LAKES CHEMICAL GLOBAL, INC. 2009-06-18 US disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 US disclosed
JP-H05279304-A N-ALLYL/BENZYL SUBSTITUTED PHENYLENEDIAMINE STABILIZER CIBA GEIGY AG 1993-10-26 JP disclosed
US-5213699-A For lubricants, heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1993-05-25 US disclosed
EP-0538195-A2 N-Allyl/benzyl substituted phenylenediamine stabilizers CIBA-GEIGY AG (CH) 1993-04-21 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-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME BBOX1, ABHD5, BRD1 CHKA 2214/4885CYP1A2 87/4885ESR1 951/4885
US-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants C5, C9, C1S CHKA 980/4885CYP1A2 690/4885ESR1 2285/4885

“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.