SCHEMBL3572161

SCHEMBL3572161

CCCCCCCCNC=C(C(=O)OCC)C(=O)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.47
CNR1 P21554 8/20 0.47
CDC25B P30305 2/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL3572160 1.00 CNR2 (0.47) CNR2CNR1CDC25BALDH1A1CYP2C9
SCHEMBL3557963 0.88 KDM4E (0.48) CNR2CNR1CDC25BALDH1A1KDM4E
SCHEMBL3557961 0.88 KDM4E (0.48) CNR2CNR1CDC25BALDH1A1KDM4E
SCHEMBL3559984 0.87 KDM4E (0.52) CNR2CNR1CDC25BALDH1A1KDM4E
SCHEMBL3559986 0.87 KDM4E (0.52) CNR2CNR1CDC25BALDH1A1KDM4E
SCHEMBL3565370 0.84 ALDH1A1 (0.46) CNR2CNR1CDC25BALDH1A1KDM4E
SCHEMBL3565366 0.84 ALDH1A1 (0.46) CNR2CNR1CDC25BALDH1A1KDM4E
SCHEMBL13885625 0.83 HPGD (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3562547 0.83 CDC25B (0.48) CNR2CDC25BALDH1A1KDM4ECDC25A
SCHEMBL3562552 0.83 CDC25B (0.48) CNR2CDC25BALDH1A1KDM4ECDC25A

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
EP-3353236-A2 COMPOSITE PANEL MATERIAL Cytec Industrial Materials (Derby) Limited (GB) 2018-08-01 EP disclosed
EP-3303441-A1 FAST CURE EPOXY RESIN COMPOSITIONS Cytec Industrial Materials (Derby) Limited (GB) 2018-04-11 EP disclosed
WO-2017050995-A2 COMPOSITE PANEL MATERIAL CYTEC INDUSTRIAL MATERIALS (DERBY) LIMITED (GB) 2017-03-30 WO disclosed
WO-2016193821-A1 FAST CURE EPOXY RESIN COMPOSITIONS CYTEC INDUSTRIAL MATERIALS (DERBY) LIMITED (GB) 2016-12-08 WO disclosed
WO-2016087603-A1 PROCESS FOR PREPARING A MODIFIED NATURAL RUBBER BY MEANS OF A MODIFIER COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-06-09 WO disclosed
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US disclosed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US disclosed
EP-1817148-A2 METHOD OF MAKING HIGH TEMPERATURE RESISTANT OR TOOLS Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-08-15 EP disclosed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP disclosed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP disclosed
WO-2006024676-A2 METHOD OF MAKING HIGH TEMPERATURE RESISTANT MODELS OR TOOLS HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2006-03-09 WO disclosed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 WO disclosed
EP-1458579-A2 METHOD OF MAKING MODELS Huntsman Advanced Materials (Switzerland) GmbH (CH) 2004-09-22 EP disclosed
WO-2003051649-A2 METHOD OF MAKING MODELS HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2003-06-26 WO 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 CNR2 87/4885CNR1 78/4885CDC25B 4622/4885

“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.