SCHEMBL4252291

SCHEMBL4252291

CC(C(=O)O)=C(c1ccc(C(=C2CC(C)(C)OC(C)(C)C2)c2ccc(O)cc2)cc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
OPRM1 P35372 3/20 0.31
OPRD1 P41143 3/20 0.31
CPT1B Q92523 1/20 0.31
ELANE P08246 1/20 0.31
ESRRG P62508 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4252283 1.00 ESR1 (0.47) ESR1OPRM1OPRD1CPT1BELANE
SCHEMBL3469203 0.80 ESR1 (0.54) ESR1OPRM1CPT1BSMN1; SMN2
SCHEMBL3467939 0.80 ESR1 (0.47) ESR1OPRM1OPRD1CPT1BELANE
SCHEMBL6506839 0.80 ESR1 (0.47) ESR1OPRM1OPRD1CPT1BELANE
SCHEMBL3468121 0.77 ESR1 (0.48) ESR1
SCHEMBL3468119 0.77 ESR1 (0.48) ESR1
SCHEMBL3469207 0.74 CA1 (0.57) ESR1SMN1; SMN2
SCHEMBL3468043 0.73 ESR1 (0.48) ESR1HTTSMN1; SMN2
SCHEMBL3468865 0.72 ESR1 (0.54) ESR1
SCHEMBL3468864 0.72 ESR1 (0.54) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 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-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885OPRM1 211/4885OPRD1 235/4885

“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.