SCHEMBL3147639

SCHEMBL3147639

Cc1cc(C)c(C(C(=O)O)C(=O)O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
SRC P12931 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
IL1B P01584 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LDHA P00338 2/20 0.32
LDHB P07195 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DAO P14920 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TPMT P51580 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6063896 0.79 GRM1 (0.39) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL7629389 0.79 GRM1 (0.42) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL6063901 0.79 GRM1 (0.39) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL5491706 0.76 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8706660 0.76 SRC (0.49) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL11625901 0.73 TSHR (0.51) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL21268924 0.70 TDP1 (0.40) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL21269546 0.70 TDP1 (0.40) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL21269396 0.70 TDP1 (0.40) GRM1TDP1MEN1KMT2ACYP1A2
Acetic Acid SCHEMBL28165166 0.70 FFAR3 (0.50) TDP1MEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567482-B1 PROCESS FOR THE PREPARATION OF PHENYLMALONIC ACID DINITRILES SYNGENTA PARTICIPATIONS AG (CH) 2010-02-17 EP disclosed
US-7268247-B2 Process for the preparation of phenylmalonic acid dinitriles SYNGENTA CROP PROTECTION, INC. (US) 2007-09-11 US disclosed
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-20060135805-A1 Process for the preparation of phenylmalonic acid dinitriles SYNGENTA CROP PROTECTION, INC. 2006-06-22 US disclosed
EP-1567482-A1 PROCESS FOR THE PREPARATION OF PHENYLMALONIC ACID DINITRILES Syngenta Participations AG (CH) 2005-08-31 EP disclosed
US-6933261-B2 2,4,5-Trisubstituted phenylketoenols BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20050038021-A1 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2005-02-17 US disclosed
WO-2004050607-A1 PROCESS FOR THE PREPARATION OF PHENYLMALONIC ACID DINITRILES SYNGENTA PARTICIPATIONS AG (CH) 2004-06-17 WO disclosed
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides LIEB FOLKER (DE) 2003-09-11 US disclosed
US-6511942-B1 Animal husbandry, veterinary medicine BAYER AKTIENGESELLSCHAFT (DE) 2003-01-28 US disclosed
EP-0837847-B1 2,4,5-TRISUBSTITUTED PHENYLKETO-ENOLS FOR USE AS PESTICIDES AND HERBICIDES BAYER AG (DE) 2002-09-18 EP disclosed
US-6110872-A 3-(2,4,5-TRISUBSTITUTED PHENYL), 4-HYDROXY,5,5-(CYCLOALKYL OR HETEROCYCLOALKYL)PYRROLIN-2-ONE AND DERIVATIVES; METHOD OF MAKING BY INTRAMOLECULAR CONDENSATION OF SPECIFIED COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2000-08-29 US disclosed
EP-0837847-A1 2,4,5-TRISUBSTITUTED PHENYLKETO-ENOLS FOR USE AS PESTICIDES AND HERBICIDES BAYER AG (DE) 1998-04-29 EP disclosed
WO-1997001535-A1 2,4,5-TRISUBSTITUTED PHENYLKETO-ENOLS FOR USE AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 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 (3 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-20050038021-A1 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, PDHX GRM1 1288/4885TDP1 2821/4885MEN1 4803/4885
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, HPD GRM1 756/4885TDP1 1958/4885MEN1 4719/4885
US-20060135805-A1 Process for the preparation of phenylmalonic acid dinitriles ME1, PDK2, PDK4 GRM1 3136/4885TDP1 4496/4885MEN1 52/4885

“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.