SCHEMBL1004061

SCHEMBL1004061

Cc1ccc(-c2ccc(F)cc2)c(C)c1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
PTGDR2 Q9Y5Y4 8/20 0.42
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 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
SCHEMBL861566 0.85 PTGS1 (0.51) MAPTPOLBCA12CA9PTGDR2
SCHEMBL12299218 0.85 MAPT (0.43) MAPTPOLBCA12CA9PTGDR2
SCHEMBL12299211 0.85 CA12 (0.46) MAPTPOLBCA12CA9PTGDR2
SCHEMBL12479163 0.84 CA12 (0.47) CA12CA9PTGDR2CYP1A2CYP3A4
SCHEMBL1258872 0.75 CYP1A2 (0.50) MAPTPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL14616506 0.72 PTGDR2 (0.38) MAPTCA12CA9PTGDR2CYP1A2
SCHEMBL2543855 0.72 PTGDR2 (0.41) MAPTPOLBCA12CA9PTGDR2
SCHEMBL508733 0.71 RXRA (0.49) PTGDR2HTTLMNAPTGS1
SCHEMBL10978468 0.71 KDM4E (0.43) HTTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3749563 0.70 TSHR (0.47) PTGDR2PPARGHTTLMNAPTGS1

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-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-9809542-B2 Spiroheterocyclically substituted tetramic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-11-07 US disclosed
EP-2534147-B1 SPIROHETEROCYCLIC-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-06-17 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
EP-2534147-A1 SPIROHETEROCYCLICAL SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-12-19 EP 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
US-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
WO-2011098443-A1 SPIROHETEROCYCLICAL SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-08-18 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
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 (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-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives AGXT, PTPRG, WIZ MAPT 3707/4885POLB 3021/4885CA12 1458/4885
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds DDC, DDT, PAH MAPT 2238/4885POLB 1614/4885CA12 1271/4885

“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.