SCHEMBL1003898

SCHEMBL1003898

Cc1ccc(Cl)c(C)c1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CLIC1 O00299 1/20 0.43
CXCL8 P10145 1/20 0.43
CLCN2 P51788 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
PTGS2 P35354 4/20 0.38
PTGS1 P23219 3/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL28725005 0.85 AKR1B1 (0.57) AKR1B1CYP1A2CYP3A4CYP2C19CLIC1
SCHEMBL7674203 0.85 ALDH1A1 (0.41) AKR1B1CLIC1CXCL8CLCN2ALDH1A1
SCHEMBL1258872 0.84 CYP1A2 (0.50) AKR1B1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL18301686 0.81 AKR1B1 (0.57) AKR1B1CYP1A2CYP3A4CYP2C19CLIC1
SCHEMBL3742494 0.78 AKR1B1 (0.53) AKR1B1CYP1A2CYP3A4CYP2C19CLIC1
SCHEMBL30427043 0.78 AKR1B1 (0.44) AKR1B1CLCN2PTGS2
SCHEMBL29009920 0.78 AKR1B1 (0.44) AKR1B1CLCN2PTGS2
SCHEMBL1004496 0.77 CYP1A2 (0.45) AKR1B1CYP1A2CYP3A4CYP2C19CLIC1
SCHEMBL12952514 0.77 CYP1A2 (0.45) AKR1B1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3044981 0.77 AKR1B1 (0.74) AKR1B1CYP3A4CYP2C19CXCL8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451767-B1 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL) ACETIC ACIDS, ESTERS THEREOF AND INTERCONNECTIONS BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-2451767-B1 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL) ACETIC ACIDS, ESTERS THEREOF AND INTERCONNECTIONS BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
US-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
US-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
CN-101851244-B Substituted phenyl keto enols as pesticides and herbicides BAYER AG 2013-08-21 CN disclosed
CN-102471215-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2012-05-23 CN disclosed
EP-2451767-A2 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS Bayer CropScience AG (DE) 2012-05-16 EP disclosed
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds BAYER CROPSCIENCE AG (DE) 2012-05-10 US disclosed
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds BAYER CROPSCIENCE AG (DE) 2012-05-10 US disclosed
CN-1631879-A Substituted phenyl keto enols as pesticides and herbicides BAYER AG (DE) 2005-06-29 CN disclosed
CN-1535956-A Substituted phenyl keto-enol pesticide and weedicide 2004-10-13 CN disclosed
US-6486343-B1 Substituted phenyl keto enols as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
US-6388123-B1 MITICIDE, INSECTICIDE FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6271180-B2 INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-20010004629-A1 Substituted phenyl keto enols as pesticides and herbicides LIEB VOLKER (DE) 2001-06-21 US disclosed
US-6140358-A FOR CONTROLLING PESTS AND WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2000-10-31 US disclosed
CN-1215390-A Substituted phenyl ketoenol pesticides and herbicides BAYER AG (DE) 1999-04-28 CN disclosed
EP-0891330-A1 SUBSTITUTED PHENYL KETO ENOLS AS PESTICIDES AND HERBICIDES BAYER AG (DE) 1999-01-20 EP disclosed
WO-1997036868-A1 SUBSTITUTED PHENYL KETO ENOLS AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-09 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-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds DDC, DDT, PAH AKR1B1 715/4885CYP1A2 195/4885CYP3A4 151/4885
US-20010004629-A1 Substituted phenyl keto enols as pesticides and herbicides DDT, CYP4X1, CYP1B1 AKR1B1 23/4885CYP1A2 14/4885CYP3A4 61/4885

“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.