SCHEMBL23464432

SCHEMBL23464432

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 10/20 0.69
▸ MAPT P10636 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ GC P02774 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ RXRA P19793 1/20 0.54
▸ CHRM3 P20309 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ OPRK1 P41145 1/20 0.54

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
SCHEMBL20461068 0.93 VDR (0.79) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL18023721 0.93 VDR (0.79) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL18021748 0.93 VDR (0.79) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14489207 0.91 VDR (0.57) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL8074131 0.91 VDR (0.57) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL12523569 0.89 VDR (0.65) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL12523605 0.89 VDR (0.64) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL18023723 0.89 VDR (0.65) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL20461051 0.89 VDR (0.65) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL18021744 0.89 VDR (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065886-A1 METHOD FOR PRODUCING MAXACALCITOL, AND INTERMEDIATE THEREFOR YONSUNG FINE CHEMICAL CO., LTD. (KR) 2023-03-02 — — US disclosed
WO-2021107646-A1 METHOD FOR PRODUCING MAXACALCITOL, AND INTERMEDIATE THEREFOR 연성정밀화학(주) 2021-06-03 — — WO 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-20230065886-A1 METHOD FOR PRODUCING MAXACALCITOL, AND INTERMEDIATE THEREFOR SI, DCXR, CYP51A1 VDR 2277/4885MAPT 3204/4885SMN1; SMN2 4351/4885

“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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