SCHEMBL4503116

SCHEMBL4503116

O=C1C(I)CCC2CCCC(c3ccccc3F)N12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 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
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 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
SCHEMBL5089034 1.00 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2TSHRKMT2A
SCHEMBL4503119 1.00 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2TSHRKMT2A
SCHEMBL5028850 0.80 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2TSHRKMT2A
SCHEMBL4521089 0.79 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2TSHRKMT2A
SCHEMBL4521091 0.79 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2TSHRKMT2A
SCHEMBL4092429 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL2581555 0.77 MGLL (0.31) ALDH1A1TSHRKMT2AMEN1
SCHEMBL5096224 0.76 RIPK1 (0.43) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL4517482 0.76 RIPK1 (0.43) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL4517479 0.76 RIPK1 (0.43) ALDH1A1TSHRKMT2ALMNAKDM4E

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

“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.