SCHEMBL18021744

SCHEMBL18021744

C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 8/20 0.65
▸ MAPT P10636 5/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ SREBF1 P36956 1/20 0.59
▸ PGR P06401 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ GC P02774 1/20 0.51
▸ RXRA P19793 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ AGTR1 P30556 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ OPRD1 P41143 1/20 0.51

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
SCHEMBL20461051 1.00 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL18023723 1.00 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL20461068 0.89 VDR (0.79) VDRMAPTSMN1; SMN2PGRADORA3
SCHEMBL18021748 0.89 VDR (0.79) VDRMAPTSMN1; SMN2PGRADORA3
SCHEMBL18023721 0.89 VDR (0.79) VDRMAPTSMN1; SMN2PGRADORA3
SCHEMBL23464432 0.89 VDR (0.69) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL18021756 0.88 VDR (0.49) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL18023733 0.88 VDR (0.49) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL20461073 0.87 VDR (0.59) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL6037770 0.86 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237030-A1 SYNTHETIC INTERMEDIATE OF MAXACALCITOL, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2016-08-18 — — US disclosed
US-20160237030-A1 SYNTHETIC INTERMEDIATE OF MAXACALCITOL, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2016-08-18 — — 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-20160237030-A1 SYNTHETIC INTERMEDIATE OF MAXACALCITOL, PREPARATION METHOD THEREFOR AND USE THEREOF CYP24A1, CYP2R1, CYP27B1 VDR 9/4885MAPT 4136/4885SMN1; SMN2 4690/4885

“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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