SCHEMBL12035602

SCHEMBL12035602

COOC(C)(C)Cc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C(c1ccc(OC(=O)C(C)(C)C)cc1)=C2C

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.80
ESR2 Q92731 16/20 0.80

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
SCHEMBL27499 0.89 ESR1 (1.00) ESR1ESR2
SCHEMBL1821303 0.89 ESR1 (1.00) ESR1ESR2
SCHEMBL29354115 0.89 ESR1 (1.00) ESR1ESR2
SCHEMBL7058506 0.88 ESR1 (0.98) ESR1ESR2
SCHEMBL7056486 0.88 ESR1 (0.91) ESR1ESR2
SCHEMBL7056839 0.86 ESR1 (0.94) ESR1ESR2
SCHEMBL2898159 0.86 ESR1 (0.84) ESR1ESR2
SCHEMBL6259524 0.86 ESR1 (0.84) ESR1ESR2
SCHEMBL21571869 0.84 ESR1 (0.83) ESR1ESR2
SCHEMBL28107129 0.83 ESR1 (0.84) ESR1ESR2

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-20160058774-A1 SEX STEROID PRECURSORS ALONE OR IN COMBINATION WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE PREVENTION AND TREATMENT OF DYSPAREUNIA IN POSTMENOPAUSAL WOMEN ENDORECHERCHE, INC. 2016-03-03 US disclosed
US-20110312925-A1 METHODS OF TREATING OR PREVENTING ESTROGEN-RELATED DISEASES ENDORECHERCHE, INC. 2011-12-22 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 (2 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-20160058774-A1 SEX STEROID PRECURSORS ALONE OR IN COMBINATION WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE PREVENTION AND TREATMENT OF DYSPAREUNIA IN POSTMENOPAUSAL WOMEN GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885
US-20110312925-A1 METHODS OF TREATING OR PREVENTING ESTROGEN-RELATED DISEASES SHBG, ESRRA, ESR2 ESR1 8/4885ESR2 3/4885

“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.