SCHEMBL861566

SCHEMBL861566

Cc1ccc(-c2ccccc2)c(C)c1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
GAA P10253 5/20 0.43
LMNA P02545 3/20 0.43
ABCC4 O15439 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1004061 0.85 MAPT (0.47) PTGS1PTGDR2SMN1; SMN2POLBCA12
SCHEMBL12479163 0.85 CA12 (0.47) PTGS1PTGDR2CA12CA9KDM4E
SCHEMBL10978468 0.84 KDM4E (0.43) PTGS1SMN1; SMN2PDCD1CD274GAA
SCHEMBL27839247 0.83 PTGS1 (0.49) PTGS1PTGDR2TP53SMN1; SMN2POLB
SCHEMBL6027622 0.82 PDCD1 (0.53) PTGS1SMN1; SMN2POLBPDCD1CD274
SCHEMBL10755148 0.80 PDCD1 (0.43) PTGS1POLBPDCD1CD274KDM4E
SCHEMBL1258872 0.79 CYP1A2 (0.50) PTGS1SMN1; SMN2POLBGAAKDM4E
SCHEMBL31514218 0.78 MEN1 (0.39) PTGS1SMN1; SMN2PDCD1CD274GAA
SCHEMBL845280 0.78 PDCD1 (0.44) PTGS1TP53POLBPDCD1CD274
SCHEMBL10978479 0.78 ALDH1A1 (0.49) PTGS1SMN1; SMN2PDCD1CD274KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed
WO-2017184589-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-26 WO disclosed
CN-103980109-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds 拜尔农作物科学股份公司 2017-05-03 CN disclosed
CN-103980109-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds 拜尔农作物科学股份公司 2017-05-03 CN disclosed
CN-103980109-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-08-13 CN disclosed
CN-103980109-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-08-13 CN disclosed
CN-103980109-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-08-13 CN disclosed
CN-102471215-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-06-11 CN disclosed
CN-102471215-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-06-11 CN disclosed
CN-102471215-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds BAYER CROPSCIENCE AG 2014-06-11 CN 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-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
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
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
WO-2011003530-A8 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed
WO-2011003530-A3 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-03-17 WO disclosed
WO-2011003530-A2 METHOD FOR PRODUCING (2,4-DIMETHYLBIPHENYL-3-YL)ACETIC ACIDS, THE ESTERS THEREOF AND INTERMEDIATE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-01-13 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 (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-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds DDC, DDT, PAH PTGS1 3663/4885PTGDR2 1104/4885TP53 3327/4885

“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.