SCHEMBL3564638

SCHEMBL3564638

CCOC(=O)/C(=C/Nc1ccc(F)cc1)C(=O)c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.58
GAA P10253 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MAPT P10636 7/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3564639 1.00 DHODH (0.58) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL3568438 0.88 DHODH (0.55) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL3568439 0.88 DHODH (0.55) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL3563527 0.88 DHODH (0.55) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL3573671 0.88 DHODH (0.58) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL3573675 0.88 DHODH (0.58) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL4962300 0.86 DHODH (0.53) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL846104 0.86 DHODH (0.77) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL3570862 0.84 DHODH (0.51) DHODHGAANPSR1MAPTALDH1A1
SCHEMBL3570865 0.84 DHODH (0.51) DHODHGAANPSR1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US claimed
JP-2007536262-A 2007-12-13 JP claimed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP claimed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP claimed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 WO claimed
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 DHODH 2623/4885GAA 1377/4885NPSR1 81/4885

“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.