SCHEMBL12600213

SCHEMBL12600213

CCC(C)(C)C1CCC2C(=O)CCC[C@@]21C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.45
▸ VDR P11473 3/20 0.30
▸ HTT P42858 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
SCHEMBL1039872 1.00 CYP19A1 (0.45) CYP19A1VDRHTT
SCHEMBL13243996 1.00 CYP19A1 (0.45) CYP19A1VDRHTT
SCHEMBL19773983 1.00 CYP19A1 (0.45) CYP19A1VDRHTT
SCHEMBL14473784 0.86 CYP19A1 (0.41) CYP19A1VDR
SCHEMBL8993014 0.82 CYP19A1 (0.37) CYP19A1VDR
SCHEMBL8993016 0.82 CYP19A1 (0.37) CYP19A1VDR
SCHEMBL8992727 0.80 CYP19A1 (0.39) CYP19A1VDR
SCHEMBL8992724 0.80 CYP19A1 (0.39) CYP19A1VDR
SCHEMBL8992723 0.79 CYP19A1 (0.34) CYP19A1
SCHEMBL8992719 0.79 CYP19A1 (0.34) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943601-B2 2-methylene-20-methyl-19,24,25,26,27-pentanor-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-05-17 — — US disclosed
US-7763598-B2 1α-hydroxy-2-(3′-hydroxypropylidene)-19-nor-vitamin D compounds with a 1,1-dimethylpropyl side chain WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-27 — — US disclosed
US-20090170822-A1 2-Methylene-20-Methyl-19,24,25,26,27-Pentanor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-07-02 — — US disclosed
US-20070238703-A1 1alpha-Hydroxy-2-(3'-Hydroxypropylidene)-19-Nor-Vitamin D Compounds with a 1,1-Dimethylpropyl Side Chain WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-11 — — 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-20070238703-A1 1alpha-Hydroxy-2-(3'-Hydroxypropylidene)-19-Nor-Vitamin D Compounds with a 1,1-Dimethylpropyl Side Chain CYP24A1, CYP27B1, VDR CYP19A1 1133/4885VDR 3/4885HTT 4194/4885
US-20090170822-A1 2-Methylene-20-Methyl-19,24,25,26,27-Pentanor-Vitamin D Analogs VDR, CYP24A1, CYP2R1 CYP19A1 1467/4885VDR 1/4885HTT 4650/4885

“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.

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