SCHEMBL3855860

SCHEMBL3855860

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
VDR P11473 4/20 0.35
HSP90AA1 P07900 1/20 0.34
AR P10275 3/20 0.33
PLA2G2D Q9UNK4 1/20 0.33
PPARD Q03181 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 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
SCHEMBL3855825 0.91 MAPK1 (0.36) SRD5A2ALDH1A1KDM4EVDRHSP90AA1
SCHEMBL3859963 0.91 VDR (0.43) VDRAR
SCHEMBL3851365 0.90 VDR (0.34) ALDH1A1KDM4EVDRHSP90AA1AR
SCHEMBL3858804 0.84 VDR (0.43) VDRAR
SCHEMBL3850267 0.82 VDR (0.42) VDRARTP53
SCHEMBL3851228 0.82 SMN1; SMN2 (0.35) ALDH1A1KDM4EVDRARLMNA
SCHEMBL5971554 0.81 SRD5A2 (0.36) SRD5A2ALDH1A1KDM4EVDRHSP90AA1
SCHEMBL3855863 0.80 SRD5A2 (0.39) SRD5A2ALDH1A1KDM4EVDRHSP90AA1
SCHEMBL5971551 0.80 ALDH1A1 (0.38) SRD5A2ALDH1A1KDM4EVDRHSP90AA1
SCHEMBL3855866 0.76 VDR (0.49) SRD5A2ALDH1A1KDM4EVDRHSP90AA1

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 2 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

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 SRD5A2 244/4885ALDH1A1 2576/4885KDM4E 1681/4885

“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.