SCHEMBL3855825

SCHEMBL3855825

CCc1cc(C(C)C(CC)c2cc3cc(C(=O)OC)ccc3o2)ccc1OCC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
VDR P11473 8/20 0.34
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 3/20 0.32
LMNA P02545 2/20 0.32
SRD5A2 P31213 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL3850267 0.91 VDR (0.42) MAPK1SMN1; SMN2TP53POLBTHRB
SCHEMBL3855860 0.91 SRD5A2 (0.39) ALDH1A1KDM4ETP53VDRHIF1A
SCHEMBL3851228 0.91 SMN1; SMN2 (0.35) MAPK1SMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL3859963 0.82 VDR (0.43) VDRAR
SCHEMBL3851365 0.82 VDR (0.34) SMN1; SMN2ALDH1A1KDM4EVDRHIF1A
SCHEMBL5971306 0.81 MAPK1 (0.35) MAPK1SMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL3855827 0.81 TP53 (0.35) MAPK1SMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL5971302 0.80 SMN1; SMN2 (0.37) MAPK1SMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL1780642 0.77 VDR (0.45) VDRAR
SCHEMBL3855831 0.77 VDR (0.47) MAPK1SMN1; SMN2ALDH1A1KDM4ETP53

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 MAPK1 2378/4885SMN1; SMN2 4860/4885ALDH1A1 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.