SCHEMBL3970911

SCHEMBL3970911

Cc1cc(/C=C/C(=O)c2ccc(OCCBr)cc2)c(OC(C)C)c(C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.40
EGFR P00533 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DPP4 P27487 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 7/20 0.39
ACHE P22303 6/20 0.39

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
SCHEMBL3968303 0.91 ABCG2 (0.47) PTPN1EGFRHDAC1HDAC2HDAC6
SCHEMBL3969907 0.89 TP53 (0.46) PTPN1EGFRHDAC1HDAC2HDAC6
SCHEMBL3974915 0.89 TP53 (0.46) PTPN1EGFRHDAC1HDAC2HDAC6
SCHEMBL499220 0.89 TP53 (0.46) PTPN1EGFRHDAC1HDAC2HDAC6
SCHEMBL3969868 0.89 TP53 (0.46) PTPN1EGFRHDAC1HDAC2HDAC6
SCHEMBL3970906 0.86 KRAS (0.51) PTPN1DPP4ALDH1A1MAPTSMN1; SMN2
SCHEMBL1778808 0.85 CA1 (0.48) PTPN1DPP4ALDH1A1LMNAMAPT
SCHEMBL499277 0.85 CA1 (0.48) PTPN1DPP4ALDH1A1LMNAMAPT
SCHEMBL3969812 0.84 CAPN1 (0.45) PTPN1DPP4KDM4ELMNAMAPT
SCHEMBL498833 0.83 MAPT (0.44) KDM4EALDH1A1LMNAMAPTSMN1; SMN2

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 PTPN1 1161/4885EGFR 901/4885HDAC1 814/4885

“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.