SCHEMBL14415914

SCHEMBL14415914

C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.64
ADRA1A P35348 3/20 0.64
NR1I2 O75469 2/20 0.64
PGR P06401 2/20 0.64
ADORA3 P0DMS8 2/20 0.64
SLC6A2 P23975 2/20 0.64
SLC6A4 P31645 2/20 0.64
PTGS2 P35354 2/20 0.64
HTR1A P08908 1/20 0.64
LMNA P02545 2/20 0.47
ABCB11 O95342 2/20 0.47
AR P10275 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 1/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47

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
SCHEMBL67867 1.00 VDR (0.64) VDRADRA1ANR1I2PGRADORA3
SCHEMBL14364796 1.00 VDR (0.64) VDRADRA1ANR1I2PGRADORA3
SCHEMBL68416 1.00 VDR (0.64) VDRADRA1ANR1I2PGRADORA3
SCHEMBL14364795 1.00 VDR (0.64) VDRADRA1ANR1I2PGRADORA3
SCHEMBL67842 1.00 VDR (0.64) VDRADRA1ANR1I2PGRADORA3
SCHEMBL2468787 1.00 VDR (0.64) VDRADRA1ANR1I2PGRADORA3
SCHEMBL23464255 0.91 VDR (0.49) VDRADRA1ANR1I2PGRADORA3
SCHEMBL7156998 0.90 VDR (0.62) VDRADRA1ANR1I2PGRADORA3
SCHEMBL14489178 0.90 VDR (0.62) VDRADRA1ANR1I2PGRADORA3
SCHEMBL14489414 0.90 VDR (0.51) VDRADRA1ANR1I2PGRADORA3

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-20070215455-A1 Isomerisation of pharmaceutical intermediates LEO PHARMA A/S (DK) 2007-09-20 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-20070215455-A1 Isomerisation of pharmaceutical intermediates CYP24A1, CYP2R1, VDR VDR 3/4885ADRA1A 1233/4885NR1I2 920/4885

“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.