SCHEMBL3974915

SCHEMBL3974915

CCCCCCCCCCCCOc1ccc(C(=O)/C=C/c2cc(C)c(C(=O)O)c(C)c2OC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
BCHE P06276 8/20 0.46
ACHE P22303 6/20 0.46
PLA2G4B P0C869 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
EGFR P00533 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DPP4 P27487 1/20 0.45
PTPN1 P18031 1/20 0.45
RARB P10826 3/20 0.44

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
SCHEMBL499220 1.00 TP53 (0.46) TP53TSHRBCHEACHEPLA2G4B
SCHEMBL3969907 1.00 TP53 (0.46) TP53TSHRBCHEACHEPLA2G4B
SCHEMBL3969868 1.00 TP53 (0.46) TP53TSHRBCHEACHEPLA2G4B
SCHEMBL3968303 0.93 ABCG2 (0.47) BCHEACHEABCG2EGFRHDAC1
SCHEMBL3970911 0.89 PTPN1 (0.40) BCHEACHEEGFRHDAC1HDAC2
SCHEMBL498826 0.89 DPP4 (0.42) TP53TSHRBCHEACHEABCG2
SCHEMBL498845 0.88 ATG4B (0.49) RARB
SCHEMBL3968478 0.87 PLK1 (0.40) BCHEACHEDPP4PTPN1
SCHEMBL3962818 0.84 MEN1 (0.43) HDAC6PTPN1
SCHEMBL3970906 0.84 KRAS (0.51) ABCG2DPP4PTPN1

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
US-7566737-B2 Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2009-07-28 US claimed
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2007-02-08 US claimed
US-7566737-B2 Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2009-07-28 US disclosed
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2007-02-08 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 (1 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-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients PSEN1, BACE1, PSEN2 TP53 762/4885TSHR 4430/4885BCHE 860/4885

“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.