SCHEMBL2854602

SCHEMBL2854602

CCCc1cc(C(=O)CC)ccc1-c1cc(C=O)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 10/20 0.37
PPARA Q07869 10/20 0.37
VDR P11473 1/20 0.35
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2855027 0.83 HTT (0.41) ALDH1A1HPGDHTTPPARGPPARA
SCHEMBL2860527 0.83 PPARG (0.35) ALDH1A1HPGDHTTPPARGPPARA
SCHEMBL2860523 0.83 PPARG (0.35) ALDH1A1HPGDHTTPPARGPPARA
SCHEMBL6472746 0.81 PTGS2 (0.37) ALDH1A1HPGDHTTPPARGPPARA
SCHEMBL6472749 0.81 PTGS2 (0.37) ALDH1A1HPGDHTTPPARGPPARA
SCHEMBL2858257 0.76 VDR (0.63) ALDH1A1HPGDHTTPPARGPPARA
SCHEMBL2858262 0.75 VDR (0.43) ALDH1A1HPGDHTTPPARGPPARA
SCHEMBL2856305 0.75 PPARG (0.37) HPGDPPARGPPARAMAPT
SCHEMBL7120865 0.71 ALDH1A1 (0.40) ALDH1A1MAPTTSHRKDM4E
SCHEMBL1022007 0.71 ALDH1A1 (0.42) ALDH1A1HPGDHTTPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 US disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 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-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR ALDH1A1 151/4885HPGD 85/4885HTT 2386/4885

“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.