SCHEMBL5490049

SCHEMBL5490049

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
ALOX15 P16050 2/20 0.52
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SRC P12931 1/20 0.44
PTGS1 P23219 1/20 0.42
AKR1B1 P15121 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGS2 P35354 2/20 0.41
MAPT P10636 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
AGBL2 Q5U5Z8 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PGK1 P00558 1/20 0.40

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
SCHEMBL31674346 1.00 NPSR1 (0.56) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL11325941 0.95 NPSR1 (0.60) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL11747281 0.91 NPSR1 (0.56) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL3877692 0.86 ALOX15 (0.58) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL3873579 0.86 ALOX15 (0.58) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL3876079 0.86 ALOX15 (0.58) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL16527228 0.84 ALOX15 (0.50) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL19999155 0.84 ALOX15 (0.55) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL23286929 0.83 NPSR1 (0.48) NPSR1ALOX15RXRARXRBRXRG
SCHEMBL3278996 0.83 ALDH1A1 (0.57) NPSR1ALOX15RXRARXRBRXRG

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019166-B2 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2006-03-28 US claimed
US-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-18 US claimed
EP-1494987-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID Bayer CropScience AG (DE) 2005-01-12 EP claimed
WO-2003084914-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-10-16 WO claimed
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-7019166-B2 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2006-03-28 US disclosed
US-7019166-B2 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2006-03-28 US disclosed
US-7019166-B2 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2006-03-28 US disclosed
CN-1659129-A Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-24 CN disclosed
CN-1659129-A Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-24 CN disclosed
WO-2003084914-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-10-16 WO disclosed
WO-2003084914-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-10-16 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 (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-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid CA6, DDC, HACL2 NPSR1 4120/4885ALOX15 4422/4885RXRA 4152/4885
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, HPD NPSR1 3011/4885ALOX15 684/4885RXRA 986/4885

“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.