SCHEMBL2689211

SCHEMBL2689211

CCC(=O)OC(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.50
PPARG P37231 6/20 0.47
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KLK7 P49862 2/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL10983198 0.86 CYP3A4 (0.44) PPARAPPARGCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL27632520 0.84 ALDH1A1 (0.68) CYP3A4ALDH1A1SMN1; SMN2CYP2D6CYP2C19
SCHEMBL28278094 0.84 MMP8 (0.50) PPARACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL28278097 0.82 LMNA (0.47) PPARAPPARGCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL11681237 0.81 KLK7 (0.44) PPARAPPARGCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL15464042 0.81 CYP3A4 (0.42) PPARACYP3A4ALDH1A1SMN1; SMN2KLK7
SCHEMBL187655 0.81 CYP3A4 (0.42) PPARACYP3A4ALDH1A1SMN1; SMN2KLK7
SCHEMBL29094176 0.81 KLK7 (0.44) PPARAPPARGCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1203770 0.81 CRHBP (0.53) CYP3A4ALDH1A1SMN1; SMN2CYP2D6CYP1A2
SCHEMBL6040370 0.81 KMT2A (0.51) PPARACYP3A4ALDH1A1KLK7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-4175185-A ESTERIFICATION, IMINOHALOGENATION, ETHERIFICATION, HYDROLYSIS, DEESTERIFICATION MEIJI SEIKA KAISHA LTD. (JP) 1979-11-20 US disclosed
US-3998816-A 7-[5-N-(n-Butoxyethoxy carbonyl and 2-chloroethoxy carbonyl)-amino] cephalosporins C MEIJI SEIKA KAISHA, LTD. (JA) 1976-12-21 US 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 PPARA 650/4885PPARG 1206/4885CYP3A4 151/4885

“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.