SCHEMBL2856601

SCHEMBL2856601

CCC(=O)c1ccc(-c2cc(O)ccc2CC)c(CC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
HSP90AB1 P08238 2/20 0.44
ATM Q13315 1/20 0.40
ANPEP P15144 1/20 0.39
DPP4 P27487 1/20 0.39
HSD17B3 P37058 2/20 0.39
MAPT P10636 3/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B1 P14061 2/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1022007 0.91 ALDH1A1 (0.42) ALDH1A1HPGDHTTHSP90AB1HSD17B3
SCHEMBL2861743 0.84 HSP90AB1 (0.39) ALDH1A1HPGDHTTHSP90AB1ATM
SCHEMBL16528479 0.79 ANPEP (0.49) ALDH1A1HTTHSP90AB1ANPEPDPP4
SCHEMBL2855027 0.79 HTT (0.41) ALDH1A1HPGDHTTHSP90AB1ATM
SCHEMBL10886320 0.77 ALDH1A1 (0.53) ALDH1A1HPGDHTTHSP90AB1ATM
SCHEMBL2857757 0.76 SRD5A2 (0.39) ALDH1A1HPGDHTTMAPTSMN1; SMN2
SCHEMBL29531568 0.75 ANPEP (0.49) ALDH1A1HPGDHSP90AB1ANPEPDPP4
SCHEMBL7105504 0.75 ANPEP (0.49) ALDH1A1HPGDHSP90AB1ANPEPDPP4
SCHEMBL27564987 0.74 ALDH1A1 (0.54) ALDH1A1HPGDHTTHSP90AB1ATM
SCHEMBL2856590 0.74 HTT (0.68) ALDH1A1HPGDHTTHSP90AB1ATM

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.