SCHEMBL3857643

SCHEMBL3857643

CCC(CC)(c1ccc(OC2CCCC(C)(C)C2O)c(C)c1)c1ccc2oc(C(=O)N(C)CC(=O)O)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.36
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
KMT2A Q03164 2/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
MEN1 O00255 1/20 0.30
OPRK1 P41145 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
SCHEMBL3854848 0.89 PIM1 (0.40) VDRHRH3ALDH1A1HPGDTAS1R3
SCHEMBL13714064 0.89 PIM1 (0.40) VDRHRH3ALDH1A1HPGDTAS1R3
SCHEMBL3851344 0.86
SCHEMBL3856364 0.85 VDR (0.36) VDRHRH3ALDH1A1HPGDPKM
SCHEMBL13714192 0.77 PIM1 (0.43) VDRHRH3ALDH1A1HPGDTAS1R3
SCHEMBL3856552 0.77 PIM1 (0.43) VDRHRH3ALDH1A1HPGDTAS1R3
SCHEMBL13714109 0.76 VDR (0.61) VDR
SCHEMBL13714147 0.75 VDR (0.62) VDR
SCHEMBL3850771 0.74 HRH3 (0.32) HRH3OPRK1
SCHEMBL3858993 0.73 PIM1 (0.40) VDRHRH3ALDH1A1HPGDTAS1R3

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 6 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-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
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
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 VDR 1/4885HRH3 917/4885ALDH1A1 2576/4885

“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.