SCHEMBL4514265

SCHEMBL4514265

COC(=O)c1ccc(C2CCCC3C=CCC(=O)N32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
ATM Q13315 2/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL4514266 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10ATMTSHRHPGD
SCHEMBL4508835 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRKDM4ENPSR1
SCHEMBL4508838 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRKDM4ENPSR1
SCHEMBL4511699 0.78 TRPA1 (0.40) ALDH1A1ATMTSHRKDM4EGAA
SCHEMBL4511703 0.78 TRPA1 (0.40) ALDH1A1ATMTSHRKDM4EGAA
SCHEMBL4096641 0.78 TRPA1 (0.40) ALDH1A1ATMTSHRKDM4EGAA
SCHEMBL2584056 0.78 MEN1 (0.38) ALDH1A1TSHRKDM4ESMN1; SMN2NPSR1
SCHEMBL4504816 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10ATMTSHRHPGD
SCHEMBL4504817 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10ATMTSHRHPGD
SCHEMBL4509500 0.71 ALDH1A1 (0.46) ALDH1A1HSD17B10ATMTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 US 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 ALDH1A1 869/4885HSD17B10 1308/4885ATM 1499/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ALDH1A1 869/4885HSD17B10 1308/4885ATM 1499/4885

“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.