SCHEMBL4511699

SCHEMBL4511699

O=C1CC=CC2CCCC(c3ccc(F)cc3)N12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.40
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
PTBP1 P26599 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GFER P55789 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4096641 1.00 TRPA1 (0.40) TRPA1TSHRMAPK1LMNAPTBP1
SCHEMBL4511703 1.00 TRPA1 (0.40) TRPA1TSHRMAPK1LMNAPTBP1
SCHEMBL4506641 0.86 TRPA1 (0.38) TRPA1TSHRMAPK1LMNAPTBP1
SCHEMBL4506645 0.86 TRPA1 (0.38) TRPA1TSHRMAPK1LMNAPTBP1
SCHEMBL2584056 0.86 MEN1 (0.38) TSHRLMNAPTBP1SMN1; SMN2ALDH1A1
SCHEMBL2586632 0.85 L3MBTL1 (0.36) TSHR
SCHEMBL4512234 0.84 RIPK1 (0.43) TSHRALDH1A1KMT2AKDM4EGFER
SCHEMBL4512232 0.84 RIPK1 (0.43) TSHRALDH1A1KMT2AKDM4EGFER
SCHEMBL5123864 0.84 RIPK1 (0.43) TSHRALDH1A1KMT2AKDM4EGFER
SCHEMBL4508838 0.82 ALDH1A1 (0.44) TSHRALDH1A1MEN1KMT2AKDM4E

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 TRPA1 1300/4885TSHR 4749/4885MAPK1 532/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 TRPA1 1300/4885TSHR 4749/4885MAPK1 532/4885

“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.