SCHEMBL3562787

SCHEMBL3562787

Cc1c(F)ccc(C(=O)C2C(=O)OC(C)(C)OC2=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
MGLL Q99685 1/20 0.34
WDR5 P61964 8/20 0.32
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13516362 0.82 BACE1 (0.47) BACE1HCAR3HCAR2
SCHEMBL13516021 0.76 BACE1 (0.49) BACE1HCAR3HCAR2
SCHEMBL3557326 0.73 BACE1 (0.48) BACE1ALDH1A1
SCHEMBL13516354 0.72 FLT1 (0.42) BACE1ALDH1A1
SCHEMBL3573417 0.71 BACE1 (0.49) BACE1ALDH1A1
SCHEMBL106184 0.69 MAOB (0.42) MGLLWDR5ALDH1A1
SCHEMBL105995 0.69 CLCN2 (0.45) MGLLWDR5ALDH1A1
SCHEMBL106326 0.69 ALDH1A1 (0.45) MGLLWDR5ALDH1A1
SCHEMBL13516448 0.69 BACE1 (0.70) BACE1HCAR3HCAR2ALDH1A1
SCHEMBL31388681 0.68 LMNA (0.43) BACE1ALDH1A1

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 BACE1 696/4885MGLL 4464/4885WDR5 4489/4885

“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.