SCHEMBL5569422

SCHEMBL5569422

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.42
AR P10275 4/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL5566469 0.88 VDR (0.51) VDRARSMN1; SMN2MAPK1HPGD
SCHEMBL5568949 0.86 VDR (0.43) VDRARALDH1A1KDM4EHTT
SCHEMBL5565295 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHTTSMN1; SMN2MAPK1
SCHEMBL5569389 0.77 BACE1 (0.51) ALDH1A1KDM4EPPARGPPARAGAA
SCHEMBL6257981 0.74 MRGPRX4 (0.39) VDRARALDH1A1KDM4ESMN1; SMN2
SCHEMBL27734485 0.74 VDR (0.35) VDRARALDH1A1KDM4ESMN1; SMN2
SCHEMBL5569801 0.74 VDR (0.53) VDRARHTTPPARGPPARA
SCHEMBL28755289 0.73 KMT2A (0.36) VDRARALDH1A1KDM4ESMN1; SMN2
SCHEMBL28773091 0.72 PPARA (0.58) ALDH1A1KDM4EPPARGPPARAGAA
SCHEMBL13332007 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EHTTSMN1; SMN2GAA

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 3/4885AR 476/4885ALDH1A1 121/4885

“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.