SCHEMBL12706969

SCHEMBL12706969

C=C1CC/C(=C\C=C2/CCC[C@@]3(C)C2CCCC3[C@@H](C)CCCC(C)(C)O)C[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.69
▸ MAPT P10636 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ 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
▸ OPRK1 P41145 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
SCHEMBL9971821 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14299295 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL19159234 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14299290 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14299288 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9971738 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9971811 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9971745 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL22877969 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14299294 0.96 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11

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-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-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-20110082121-A1 1-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-04-07 — — 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 (1 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 VDR 1/4885MAPT 4062/4885SMN1; SMN2 4472/4885

“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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