SCHEMBL13993786

SCHEMBL13993786

CCC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)C2CCC3C(C)CCCC(C)(C)O)C[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.80
▸ MAPT P10636 2/20 0.66
▸ SREBF1 P36956 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ NR1I2 O75469 1/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ GC P02774 1/20 0.65
▸ PGR P06401 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ RXRA P19793 1/20 0.65
▸ CHRM3 P20309 1/20 0.65
▸ CNR1 P21554 1/20 0.65
▸ SLC6A2 P23975 1/20 0.65
▸ HTR2C P28335 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ AGTR1 P30556 1/20 0.65
▸ SLC6A4 P31645 1/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ OPRD1 P41143 1/20 0.65

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
SCHEMBL23359142 0.94 VDR (0.81) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL23359143 0.94 VDR (0.81) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL14107799 0.91 VDR (0.77) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL15371109 0.91 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL15371115 0.91 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL19461421 0.91 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL10307536 0.91 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL10307541 0.91 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL12513106 0.91 VDR (0.65) VDR
SCHEMBL29694175 0.90 VDR (0.76) VDRMAPTSREBF1SMN1; SMN2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468361-B2 2-ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-12-23 — — US disclosed
US-7468361-B2 2-ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-12-23 — — US disclosed
US-20080032956-A1 2-Ethyl and 2-Ethylidene-19-Nor-Vitamin D Compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 — — US disclosed
US-20080032956-A1 2-Ethyl and 2-Ethylidene-19-Nor-Vitamin D Compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 — — US disclosed
US-7300925-B2 2-ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-11-27 — — US disclosed
US-7300925-B2 2-ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-11-27 — — US disclosed
US-20070088008-A1 2-Ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-19 — — US disclosed
US-20070088008-A1 2-Ethyl and 2-ethylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-19 — — 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-20080032956-A1 2-Ethyl and 2-Ethylidene-19-Nor-Vitamin D Compounds CYP24A1, VDR, CYP2R1 VDR 2/4885MAPT 4536/4885SREBF1 234/4885
US-20070088008-A1 2-Ethyl and 2-ethylidene-19-nor-vitamin D compounds CYP24A1, VDR, CYP2R1 VDR 2/4885MAPT 4536/4885SREBF1 234/4885

“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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