SCHEMBL1709647

SCHEMBL1709647

COC(=O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
KDM4E B2RXH2 5/20 0.46
RXFP1 Q9HBX9 2/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NR4A2 P43354 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MCL1 Q07820 4/20 0.43

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
SCHEMBL6516527 1.00 CFD (0.47) CFDCA12CA1CA2CA7
Water SCHEMBL15136858 0.98 CFD (0.46) CFDCA12CA1CA2CA7
SCHEMBL13941279 0.96 CFD (0.50) CFDCA12CA1CA2CA7
SCHEMBL338081 0.96 CFD (0.50) CFDCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL29809457 0.94 CFD (0.49) CFDCA12CA1CA2CA7
SCHEMBL6466451 0.90 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29733451 0.90 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL27552364 0.89 NR4A2 (0.56) KDM4EKMT2AALDH1A1NR4A2MCL1
SCHEMBL15144236 0.89 TSHR (0.49) CFDCA12CA1CA2CA7
SCHEMBL9813479 0.88 CA12 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394226-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3′,4′-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2016-07-19 US disclosed
US-9394226-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3′,4′-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2016-07-19 US disclosed
US-20150025263-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE CORPORATION (JP) 2015-01-22 US disclosed
US-20150025263-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE CORPORATION (JP) 2015-01-22 US disclosed
US-8859801-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3', 4'-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2014-10-14 US disclosed
US-8859801-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3', 4'-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2014-10-14 US disclosed
US-20130197261-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3', 4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE INDUSTRIES, LTD. (JP) 2013-08-01 US disclosed
US-20130197261-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3', 4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE INDUSTRIES, LTD. (JP) 2013-08-01 US disclosed
WO-2012046857-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS 宇部興産株式会社 (JP) 2012-04-12 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-20130197261-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3', 4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS CA4, CA2, CA1 CFD 1271/4885CA12 5/4885CA1 3/4885
US-20150025263-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS CA4, CA1, CA2 CFD 1250/4885CA12 7/4885CA1 2/4885

“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.