SCHEMBL13604875

SCHEMBL13604875

CCCc1cc(C(=O)CC)ccc1-c1cc(OCC)ccc1CC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.40
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
PARP10 Q53GL7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PLK1 P53350 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
SRD5A2 P31213 1/20 0.37

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
SCHEMBL2856534 0.91 VDR (0.42) VDRMAPTNPC1PPARGPPARA
SCHEMBL1022002 0.89 MTNR1A (0.44) VDRPPARGPPARAALDH1A1MEN1
SCHEMBL2863404 0.84 VDR (0.68) VDRMAPTNPC1PPARGPPARA
SCHEMBL2863408 0.83 VDR (0.49) VDRMAPTNPC1PPARGPPARA
SCHEMBL2857757 0.82 SRD5A2 (0.39) L3MBTL1MAPTNPC1PARP10ALDH1A1
SCHEMBL1022007 0.82 ALDH1A1 (0.42) VDRPPARGPPARAALDH1A1HTT
SCHEMBL2856305 0.80 PPARG (0.37) MAPTNPC1PPARGPPARALMNA
SCHEMBL2858864 0.78 VDR (0.49) VDRL3MBTL1MAPTNPC1PPARG
SCHEMBL2853381 0.75 VDR (0.58) VDRMAPTNPC1ALDH1A1MEN1
SCHEMBL2863756 0.75 SRD5A2 (0.38) L3MBTL1MAPTNPC1PARP10ALDH1A1

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-7638657-B2 Preparation of 3-[5′-(3,4-bis(hydroxymethyl)benzyloxy)-2′-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-29 US disclosed
US-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-06 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-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol PARP2, CYP4B1, CYP8B1 VDR 591/4885L3MBTL1 2608/4885MAPT 2996/4885

“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.