SCHEMBL3467780

SCHEMBL3467780

CCC(Oc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 1/20 0.42
PPARA Q07869 15/20 0.40
PPARG P37231 14/20 0.40
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3562321 0.90 SMN1; SMN2 (0.46) SMN1; SMN2PPARAPPARGOPRD1
SCHEMBL3468467 0.82 ESR1 (0.51) SMN1; SMN2ESR1PPARAPPARG
SCHEMBL9656236 0.79 SMN1; SMN2 (0.65) SMN1; SMN2PPARAPPARG
SCHEMBL433427 0.79 SMN1; SMN2 (0.65) SMN1; SMN2PPARAPPARG
SCHEMBL3468411 0.78 ESR1 (0.49) SMN1; SMN2ESR1ALDH1A1
Gsk-232802 SCHEMBL3467757 0.77 ESR1 (0.55) SMN1; SMN2ESR1PPARGOPRM1ALDH1A1
SCHEMBL3468408 0.76 ESR1 (0.56) SMN1; SMN2ESR1OPRM1OPRD1ALDH1A1
SCHEMBL5785595 0.76 ESR1 (0.55) ESR1ALDH1A1
SCHEMBL3469364 0.75 ESR1 (0.47) ESR1PPARA
SCHEMBL4253248 0.75 ESR1 (0.48) ESR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
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 SMN1; SMN2 4776/4885ESR1 3/4885PPARA 117/4885

“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.