SCHEMBL3856199

SCHEMBL3856199

CCC(CC)(c1ccc(OC2CCCC(C)(C)C2=O)c(C)c1)c1cc(C)c2oc(C(=O)O)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.33
PIM2 Q9P1W9 5/20 0.33
VDR P11473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GNRHR P30968 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
SCHEMBL3851332 0.92 GNRHR (0.33) VDRMEN1KMT2AALDH1A1RAB9A
SCHEMBL3858993 0.91 PIM1 (0.40) PIM1PIM2VDRMEN1KMT2A
SCHEMBL5971853 0.80 MEN1 (0.33) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3856364 0.80 VDR (0.36) VDRMEN1KMT2AALDH1A1HPGD
SCHEMBL3850771 0.78 HRH3 (0.32)
SCHEMBL3850769 0.77 HRH3 (0.31) HDAC3HDAC6
SCHEMBL3859348 0.76 KMT2A (0.44) PIM1PIM2MEN1KMT2AKDM4E
SCHEMBL3854848 0.74 PIM1 (0.40) PIM1PIM2VDRMEN1KMT2A
SCHEMBL13714064 0.74 PIM1 (0.40) PIM1PIM2VDRMEN1KMT2A
SCHEMBL3850224 0.73 VDR (0.43) VDRHDAC3HDAC6

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 PIM1 2253/4885PIM2 2319/4885VDR 1/4885

“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.