SCHEMBL4520448

SCHEMBL4520448

C=CCC(=O)N1[C@@H](/C=C/C(=O)O)CC[C@H]1c1cc(F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RIPK1 Q13546 1/20 0.33
NTRK1 P04629 11/20 0.31
AGTR2 P50052 2/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL4520455 1.00 MEN1 (0.34) MEN1KMT2ARIPK1NTRK1AGTR2
SCHEMBL4510749 0.92 MEN1 (0.36) MEN1KMT2AALDH1A1CYP2C19
SCHEMBL4510755 0.92 MEN1 (0.36) MEN1KMT2AALDH1A1CYP2C19
SCHEMBL4514264 0.88
SCHEMBL4514271 0.88
SCHEMBL2583865 0.88 NTRK1 (0.34) MEN1KMT2ANTRK1JAK2
SCHEMBL4511650 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4511643 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4087759 0.84 FFAR2 (0.37) RIPK1
SCHEMBL4087764 0.84 FFAR2 (0.37) RIPK1

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 MEN1 184/4885KMT2A 3271/4885RIPK1 4491/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 MEN1 184/4885KMT2A 3271/4885RIPK1 4491/4885

“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.