SCHEMBL4514593

SCHEMBL4514593

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4514595 1.00 KDM4E (0.42) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4520336 0.87 RAB9A (0.40) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL4511776 0.87 RAB9A (0.40) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL4521461 0.84 FFAR2 (0.38) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2584668 0.79 SLC6A2 (0.36) KMT2AALDH1A1SMN1; SMN2
SCHEMBL4097126 0.78 FFAR2 (0.43) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2587846 0.77 FFAR2 (0.35) L3MBTL1OPRK1
SCHEMBL4520149 0.75 RIPK1 (0.45) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4520150 0.75 RIPK1 (0.45) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4087306 0.74 FFAR2 (0.34) KDM4EALDH1A1LMNAHTTMAPT

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 KDM4E 3761/4885MEN1 184/4885KMT2A 3271/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KDM4E 3761/4885MEN1 184/4885KMT2A 3271/4885

“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.