SCHEMBL10041390

SCHEMBL10041390

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 6/20 0.41
▸ CYP19A1 P11511 2/20 0.39
▸ CDC25A P30304 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ SREBF1 P36956 1/20 0.37

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
SCHEMBL10041389 1.00 VDR (0.41) VDRCYP19A1CDC25ACDC25BSREBF1
SCHEMBL10041391 1.00 VDR (0.41) VDRCYP19A1CDC25ACDC25BSREBF1
SCHEMBL10041392 1.00 VDR (0.41) VDRCYP19A1CDC25ACDC25BSREBF1
SCHEMBL12332930 0.90 VDR (0.47) VDRSREBF1
SCHEMBL12332931 0.90 VDR (0.47) VDRSREBF1
SCHEMBL12332932 0.90 VDR (0.47) VDRSREBF1
SCHEMBL12332933 0.90 VDR (0.47) VDRSREBF1
SCHEMBL10041383 0.88 CYP19A1 (0.36) VDRCYP19A1CDC25ACDC25B
SCHEMBL10041384 0.88 CYP19A1 (0.36) VDRCYP19A1CDC25ACDC25B
SCHEMBL10041385 0.88 CYP19A1 (0.36) VDRCYP19A1CDC25ACDC25B

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-8664206-B2 Diastereomers of 2-methylene-19-nor-22-methyl-1α,25-dihydroxyvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-03-04 — — US disclosed
US-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-28 — — US disclosed
US-20110237557-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-09-29 — — 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-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 VDR 4/4885CYP19A1 40/4885CDC25A 1007/4885
US-20110237557-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 VDR 4/4885CYP19A1 40/4885CDC25A 1007/4885

“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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