SCHEMBL9971822

SCHEMBL9971822

C=C1CC/C(=C\CO)C[C@H]1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.32

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
SCHEMBL9971812 1.00 ESR2 (0.32) ESR2
SCHEMBL16602152 0.78 ESR2 (0.33) ESR2
SCHEMBL13804818 0.78 ESR2 (0.31) ESR2
SCHEMBL14317174 0.77
SCHEMBL12710440 0.73
SCHEMBL1604234 0.72 STAT3 (0.35)
SCHEMBL14401987 0.70
SCHEMBL8444703 0.68
SCHEMBL13993773 0.68 ESR2 (0.30) ESR2
SCHEMBL9973233 0.68 ESR2 (0.38) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993547-B2 3-desoxy-2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-03-31 US disclosed
US-8642579-B2 1-desoxy-2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-02-04 US disclosed
US-8518917-B2 2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-08-27 US disclosed
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-20 US disclosed
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20110082121-A1 1-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-04-07 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 (3 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-20110082121-A1 1-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 ESR2 626/4885
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses CYP24A1, CYP2R1, CYP27B1 ESR2 734/4885
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 ESR2 355/4885

“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.