SCHEMBL3559979

SCHEMBL3559979

CN(C)C=C(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.52
CES1 P23141 7/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
EGFR P00533 2/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.42
HPGD P15428 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
SCHEMBL4291901 0.92 RAB9A (0.48) CES2CES1RAB9AALDH1A1KMT2A
SCHEMBL4291907 0.92 RAB9A (0.48) CES2CES1RAB9AALDH1A1KMT2A
SCHEMBL7383383 0.90 ALDH1A1 (0.58) CES2CES1RAB9AALDH1A1KMT2A
SCHEMBL5318227 0.90 ALDH1A1 (0.58) CES2CES1RAB9AALDH1A1KMT2A
SCHEMBL1081436 0.86 ALDH1A1 (0.45) CES2CES1RAB9AALDH1A1KMT2A
SCHEMBL1081432 0.86 ALDH1A1 (0.45) CES2CES1RAB9AALDH1A1KMT2A
SCHEMBL8190510 0.85 POLB (0.57) CES2CES1RAB9AALDH1A1KMT2A
SCHEMBL8190513 0.85 POLB (0.57) CES2CES1RAB9AALDH1A1KMT2A
SCHEMBL3452959 0.83 RAB9A (0.56) RAB9AALDH1A1KMT2ALMNAGAA
SCHEMBL3452956 0.83 RAB9A (0.56) RAB9AALDH1A1KMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742904-B1 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2012-10-31 EP 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-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-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 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 CES2 1007/4885CES1 1398/4885RAB9A 935/4885

“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.