SCHEMBL4514524

SCHEMBL4514524

CCOC(=O)/C=C/[C@H]1CC[C@@H](c2c(F)cc(F)cc2F)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.34
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
TTR P02766 1/20 0.31
DPP4 P27487 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK14 Q16539 1/20 0.31
FFAR2 O15552 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
SCHEMBL4506176 1.00 XPO1 (0.36) XPO1L3MBTL1TDP1ALDH1A1HCAR2
SCHEMBL2587429 0.86 TDP1 (0.34) XPO1L3MBTL1TDP1ALDH1A1LMNA
SCHEMBL2586542 0.86 DPP4 (0.34) XPO1L3MBTL1TDP1ALDH1A1CHRM1
SCHEMBL4505431 0.74 FFAR2 (0.40) FFAR2
SCHEMBL4505434 0.74 FFAR2 (0.40) FFAR2
SCHEMBL4514530 0.73 ATM (0.35) FFAR2
SCHEMBL4514527 0.73 ATM (0.35) FFAR2
SCHEMBL4497699 0.72 MEN1 (0.32) KMT2A
SCHEMBL2581475 0.72 L3MBTL1 (0.32) XPO1L3MBTL1TDP1ALDH1A1FFAR2
SCHEMBL2586545 0.72 XPO1 (0.34) XPO1L3MBTL1TDP1ALDH1A1LMNA

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 XPO1 2015/4885L3MBTL1 2853/4885TDP1 922/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 XPO1 2015/4885L3MBTL1 2853/4885TDP1 922/4885

“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.