SCHEMBL6736404

SCHEMBL6736404

C[C@H](CCCC(C)(C)O)[C@H]1CCC2/C(=C/Br)CCC[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 13/20 0.70
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
SREBF1 P36956 1/20 0.64
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
GC P02774 1/20 0.63
PGR P06401 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
RXRA P19793 1/20 0.63
CHRM3 P20309 1/20 0.63
CNR1 P21554 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR2C P28335 1/20 0.63
MAPK1 P28482 1/20 0.63
AGTR1 P30556 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
PTGS2 P35354 1/20 0.63
OPRD1 P41143 1/20 0.63

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
SCHEMBL13849336 1.00 VDR (0.70) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL26324497 1.00 VDR (0.70) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL24571965 1.00 VDR (0.70) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL17888103 1.00 VDR (0.70) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL6720175 0.92 VDR (0.62) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL7763306 0.89 CDC25A (0.62) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL7763304 0.89 CDC25A (0.62) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL7760537 0.89 CDC25A (0.62) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL7763310 0.89 CDC25A (0.62) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL7760533 0.89 CDC25A (0.62) VDRMAPTSMN1; SMN2SREBF1NR1I2

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-8178517-B2 6-methylvitamin D3 analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-20110082123-A1 6-Methylvitamin D3 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-20110082123-A1 6-Methylvitamin D3 Analogs and Their Uses VDR, CYP24A1, CYP2R1 VDR 1/4885MAPT 4165/4885SMN1; SMN2 4783/4885

“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.