SCHEMBL1022002

SCHEMBL1022002

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
VDR P11473 1/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 6/20 0.41
PPARA Q07869 6/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL13604875 0.89 VDR (0.45) VDRKMT2APPARGPPARAALDH1A1
SCHEMBL2856534 0.84 VDR (0.42) VDRKMT2APPARGPPARAALDH1A1
SCHEMBL1022007 0.83 ALDH1A1 (0.42) VDRPPARGPPARAALDH1A1HPGD
SCHEMBL2863404 0.80 VDR (0.68) VDRKMT2APPARGPPARAALDH1A1
SCHEMBL2857757 0.76 SRD5A2 (0.39) KMT2AALDH1A1HPGDMEN1
SCHEMBL2856601 0.74 ALDH1A1 (0.46) ALDH1A1HPGD
SCHEMBL7173547 0.73 ALDH1A1 (0.69) MTNR1AKMT2AALDH1A1CYP1A2HPGD
SCHEMBL31427513 0.73 ALDH1A1 (0.69) MTNR1AKMT2AALDH1A1CYP1A2HPGD
SCHEMBL2853381 0.72 VDR (0.58) VDRKMT2AALDH1A1CYP1A2HPGD
SCHEMBL2855027 0.71 HTT (0.41) VDRPPARGPPARAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814847-B1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RES & DEV (FR) 2011-01-12 EP claimed
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 claimed
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 claimed
EP-1814847-A1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL Galderma Research & Development (FR) 2007-08-08 EP claimed
WO-2006053985-A1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO claimed
EP-1814847-B1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RES & DEV (FR) 2011-01-12 EP disclosed
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
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
EP-1814847-A1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL Galderma Research & Development (FR) 2007-08-08 EP disclosed
WO-2006053985-A1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol PARP2, CYP4B1, CYP8B1 MTNR1A 4274/4885VDR 591/4885KMT2A 3888/4885

“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.