SCHEMBL18021746

SCHEMBL18021746

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nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 7/20 0.72
▸ MAPT P10636 5/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ SREBF1 P36956 1/20 0.65
▸ PGR P06401 2/20 0.55
▸ ADORA3 P0DMS8 2/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ GC P02774 1/20 0.55
▸ RXRA P19793 1/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ AGTR1 P30556 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ OPRD1 P41143 1/20 0.55

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
SCHEMBL8769443 0.91 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL12517774 0.91 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL18023064 0.91 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL6037770 0.91 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL10349035 0.89 VDR (0.74) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL18021745 0.88 VDR (0.89) VDRMAPTSMN1; SMN2PGRADORA3
SCHEMBL20461051 0.86 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL18021744 0.86 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL18023723 0.86 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1PGR
SCHEMBL7161273 0.84 VDR (0.72) 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 1 patent. 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

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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