SCHEMBL4513725

SCHEMBL4513725

O=C1CC=CC2CCCC(c3ccccc3F)N12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RIPK1 Q13546 6/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL4513726 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAATSHRKMT2A
SCHEMBL4096641 0.78 TRPA1 (0.40) ALDH1A1SMN1; SMN2GAATSHRKMT2A
SCHEMBL4511699 0.78 TRPA1 (0.40) ALDH1A1SMN1; SMN2GAATSHRKMT2A
SCHEMBL4511703 0.78 TRPA1 (0.40) ALDH1A1SMN1; SMN2GAATSHRKMT2A
SCHEMBL2586632 0.77 L3MBTL1 (0.36) TSHRRIPK1
SCHEMBL2584708 0.77
SCHEMBL4512232 0.76 RIPK1 (0.43) ALDH1A1TSHRKMT2AKDM4ERIPK1
SCHEMBL5123864 0.76 RIPK1 (0.43) ALDH1A1TSHRKMT2AKDM4ERIPK1
SCHEMBL4512234 0.76 RIPK1 (0.43) ALDH1A1TSHRKMT2AKDM4ERIPK1
SCHEMBL4521091 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAATSHRKMT2A

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 ALDH1A1 869/4885SMN1; SMN2 119/4885GAA 1381/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ALDH1A1 869/4885SMN1; SMN2 119/4885GAA 1381/4885

“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.