SCHEMBL5568949

SCHEMBL5568949

CCc1cc(CCCc2ccc(C(=O)O)c(C(=O)O)c2)ccc1OCC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
AR P10275 4/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KAT8 Q9H7Z6 2/20 0.40
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.36
SRD5A2 P31213 1/20 0.36
CFD P00746 1/20 0.36
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34

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
SCHEMBL5569801 0.87 VDR (0.53) VDRPPARAPPARGARHTT
SCHEMBL5569422 0.86 VDR (0.42) VDRPPARAPPARGARALDH1A1
SCHEMBL5568363 0.81 PPARA (0.44) PPARAPPARGKAT8HTTSRD5A2
SCHEMBL5570240 0.74 KAT8 (0.60) PPARAPPARGKAT8HSP90AA1RARA
SCHEMBL5566469 0.74 VDR (0.51) VDRAR
SCHEMBL254346 0.73 KAT8 (0.54) PPARAPPARGALDH1A1KAT8RARA
SCHEMBL5565041 0.72 PTGDR2 (0.51) PPARAPPARG
SCHEMBL6264191 0.71 VDR (0.51) VDRARALDH1A1KDM4E
SCHEMBL6386713 0.71 KAT8 (0.49) PPARAPPARGKAT8
SCHEMBL1356365 0.70 KAT8 (0.66) PPARAPPARGALDH1A1KDM4EKAT8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
EP-1537065-B1 ANALOGUES OF VITAMIN D GALDERMA RES & DEV (FR) 2006-11-02 EP disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR VDR 3/4885PPARA 134/4885PPARG 57/4885

“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.