SCHEMBL4520336

SCHEMBL4520336

C=CCC(=O)N1C(C=C)CCCC1c1ccc(C(=O)OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 2/20 0.39
GSK3B P49841 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4511776 1.00 RAB9A (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL4514593 0.87 KDM4E (0.42) SMN1; SMN2ALDH1A1HSD17B10GAATSHR
SCHEMBL2584668 0.81 SLC6A2 (0.36) SMN1; SMN2ALDH1A1ATMKMT2AGPX4
SCHEMBL4097126 0.77 FFAR2 (0.43) SMN1; SMN2ALDH1A1TSHRHTTMEN1
SCHEMBL4520150 0.74 RIPK1 (0.45) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL4520149 0.74 RIPK1 (0.45) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL3617782 0.73 FFAR2 (0.35) TP53GPX4
SCHEMBL2583127 0.73 FFAR2 (0.35) TP53GPX4
SCHEMBL2581022 0.73 RIPK1 (0.30)
SCHEMBL2584839 0.73 RIPK1 (0.30)

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 RAB9A 2810/4885SMN1; SMN2 119/4885NPC1 116/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RAB9A 2810/4885SMN1; SMN2 119/4885NPC1 116/4885

“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.