SCHEMBL4452776

SCHEMBL4452776

O=C(O)c1ccccc1COc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.61
NR4A2 P43354 4/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.52
FOLH1 Q04609 2/20 0.51
MCL1 Q07820 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL1368181 0.87 TP53 (0.63) NR4A2NPC1RAB9ATP53HTT
SCHEMBL1756444 0.86 MRGPRX4 (0.63) NR4A2NPC1RAB9ATP53HTT
SCHEMBL4215754 0.86 NR4A2 (0.59) HIF1ANR4A2NPC1RAB9ATP53
SCHEMBL14417302 0.86 HIF1A (0.63) HIF1ANR4A2NPC1RAB9ACYP3A4
SCHEMBL11572828 0.85 MRGPRX4 (0.64) HIF1ANR4A2NPC1RAB9ATP53
SCHEMBL490469 0.85 MRGPRX4 (0.62) HIF1ANR4A2NPC1RAB9ATP53
SCHEMBL11618784 0.84 NR4A2 (0.53) HIF1ANR4A2NPC1RAB9ATP53
SCHEMBL2557002 0.82 NPC1 (0.63) HIF1ANR4A2NPC1RAB9ATP53
SCHEMBL11618778 0.82 CFD (0.55) HIF1ANR4A2NPC1RAB9ATP53
SCHEMBL11600649 0.81 MRGPRX4 (0.61) NR4A2NPC1RAB9ATP53HTT

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
US-7582794-B2 Process for the preparation of substituted 2-(phenoxymethyl)benzoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-01 US disclosed
US-7582794-B2 Process for the preparation of substituted 2-(phenoxymethyl)benzoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-01 US disclosed
EP-1699748-B1 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-10-15 EP disclosed
US-20070219395-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-(PHENOXYMETHYL)BENZOIC ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-20 US disclosed
US-20070219395-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-(PHENOXYMETHYL)BENZOIC ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-20 US disclosed
US-7238835-B2 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-03 US disclosed
US-7238835-B2 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-03 US disclosed
CN-1898190-A Process for producing substituted 2- (phenoxymethyl) benzoic acid AVENTIS PHARMA GMBH (DE) 2007-01-17 CN disclosed
EP-1699748-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS Sanofi-Aventis Deutschland GmbH (DE) 2006-09-13 EP disclosed
US-20050171205-A1 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-04 US disclosed
WO-2005061427-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-07-07 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 (2 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-20070219395-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-(PHENOXYMETHYL)BENZOIC ACIDS CYP2B6, CYP1B1, CYP4B1 HIF1A 672/4885NR4A2 2506/4885NPC1 3120/4885
US-20050171205-A1 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids CYP2B6, CYP1B1, CYP4B1 HIF1A 672/4885NR4A2 2506/4885NPC1 3120/4885

“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.