SCHEMBL3974902

SCHEMBL3974902

Cc1cc(/C=C/C(=O)c2ccc(I)cc2)cc(C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2B6 P20813 1/20 0.57
CXCL12 P48061 1/20 0.57

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
SCHEMBL3974905 1.00 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL13359041 0.87 MAPT (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL29151956 0.86 TTR (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL29151961 0.86 TTR (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL498633 0.84 ESR1 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL498634 0.84 ESR1 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL3970919 0.84 TNFRSF1A (0.65)
SCHEMBL30631203 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL498894 0.84 MAOB (0.65) CXCL12
SCHEMBL498895 0.84 MAOB (0.65) CXCL12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113230240-B 1,3-diphenylprop-2-en-1-one derivative and application thereof 广州医科大学 2022-12-27 CN disclosed
CN-113230240-A 1, 3-diphenylprop-2-en-1-one derivative and application thereof 广州医科大学 2021-08-10 CN disclosed
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-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-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
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
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 CYP1A2 1583/4885CYP3A4 3088/4885CYP2D6 2461/4885

“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.