SCHEMBL3851332

SCHEMBL3851332

CCOC(=O)c1cc2cc(C(CC)(CC)c3ccc(OC4CCCC(C)(C)C4=O)c(C)c3)cc(C)c2o1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.33
VDR P11473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AR P10275 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3856199 0.92 PIM1 (0.33) GNRHRVDRRAB9AALDH1A1TP53
SCHEMBL3858993 0.82 PIM1 (0.40) VDRALDH1A1TP53MEN1KMT2A
SCHEMBL5971132 0.81 NPC1 (0.31) GNRHRNPC1RAB9A
SCHEMBL3856364 0.77 VDR (0.36) VDRALDH1A1MEN1KMT2A
SCHEMBL3850761 0.76 NPC1 (0.42) NPC1RAB9AMAOAMAOBMEN1
SCHEMBL3851344 0.75
SCHEMBL3850771 0.75 HRH3 (0.32)
SCHEMBL3850769 0.74 HRH3 (0.31)
SCHEMBL3852084 0.74 ESR1 (0.51) VDRARALDH1A1MAOAMAOB
SCHEMBL3850191 0.74 VDR (0.41) VDRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1687289-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051938-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 GNRHR 612/4885VDR 1/4885NPC1 1988/4885

“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.