SCHEMBL6970519

SCHEMBL6970519

[CH2]OC(=O)c1cccc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
PARP1 P09874 1/20 0.62
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 2/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.52

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
SCHEMBL7625784 0.86 CES2 (0.62) CES2CES1PARP1ESR1ESR2
Methyl 3-Methoxybenzoate SCHEMBL384913 0.85 SMN1; SMN2 (0.73) CES2CES1PARP1ESR1ESR2
SCHEMBL30393680 0.85 CES2 (0.71) CES2CES1PARP1ESR1ESR2
Methyl 3-Methoxybenzoate SCHEMBL29702092 0.85 SMN1; SMN2 (0.73) CES2CES1PARP1ESR1ESR2
SCHEMBL23509 0.85 CES2 (0.71) CES2CES1PARP1ESR1ESR2
SCHEMBL447346 0.85 CES2 (0.71) CES2CES1PARP1ESR1ESR2
SCHEMBL1356540 0.83 PARP1 (0.70) CES2CES1PARP1ESR1ESR2
SCHEMBL7954384 0.82 ALDH1A1 (0.50) CES2CES1SMN1; SMN2TP53NPC1
SCHEMBL8190990 0.81 CES2 (0.67) CES2CES1PARP1ESR1ESR2
SCHEMBL17629345 0.81 PARP1 (0.68) CES2CES1PARP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US disclosed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CES2 1061/4885CES1 1114/4885PARP1 3424/4885

“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.