SCHEMBL3851365

SCHEMBL3851365

CCC(c1cc2cc(C(=O)O)ccc2o1)C(C)c1ccc(OCC(=O)C(C)(C)C)c(C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.34
AR P10275 3/20 0.33
RXRA P19793 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
HSP90AA1 P07900 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3851228 0.91 SMN1; SMN2 (0.35) VDRARHPGDSMN1; SMN2L3MBTL1
SCHEMBL3859963 0.90 VDR (0.43) VDRAR
SCHEMBL3855860 0.90 SRD5A2 (0.39) VDRARALDH1A1KDM4ETSHR
SCHEMBL3858804 0.83 VDR (0.43) VDRAR
SCHEMBL5971392 0.82 TBXAS1 (0.33) VDRARRXRAHPGDSMN1; SMN2
SCHEMBL3855825 0.82 MAPK1 (0.36) VDRARSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3850267 0.82 VDR (0.42) VDRARSMN1; SMN2
SCHEMBL5971389 0.81 GRIN2D (0.35) VDRARRXRAHPGDSMN1; SMN2
SCHEMBL3851369 0.79 TBXAS1 (0.34) VDRHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3855199 0.79 VDR (0.47) 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 VDR 1/4885AR 437/4885RXRA 86/4885

“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.