SCHEMBL1709654

SCHEMBL1709654

COC(=O)C1CCC(c2ccc(C)c(C)c2)CC1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.43
SLC6A2 P23975 9/20 0.43
SLC6A4 P31645 9/20 0.43
CHRNA1 P02708 4/20 0.43
CHRNG P07510 4/20 0.43
ITGA5 P08648 4/20 0.43
CHRNB1 P11230 4/20 0.43
CHRNB2 P17787 4/20 0.43
CHRNB4 P30926 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRND Q07001 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
SCHEMBL1709747 0.81 GAA (0.48)
SCHEMBL641901 0.74 CHRNB2 (0.43) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL2884802 0.74 HTR2C (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL9680433 0.71 NPC1 (0.56)
SCHEMBL15488633 0.70 HTR2A (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL23368783 0.70 AKR1C3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL1726032 0.70 KDM4E (0.46) SLC6A3
SCHEMBL17067761 0.70 SLC6A3 (0.45) SLC6A3
SCHEMBL11798557 0.70 ACMSD (0.42) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL8226507 0.70 CHRM2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4

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
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-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-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-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-8772529-B2 Catalyst for alkylation and process for producing alkylaromatic hydrocarbon compound using the catalyst UBE INDUSTRIES, LTD (JP) 2014-07-08 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
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
EP-2581133-A1 CATALYST FOR ALKYLATION AND PROCESS FOR PRODUCING ALKYLAROMATIC HYDROCARBON COMPOUND USING THE CATALYST Ube Industries, Ltd. (JP) 2013-04-17 EP disclosed
EP-2581133-A1 CATALYST FOR ALKYLATION AND PROCESS FOR PRODUCING ALKYLAROMATIC HYDROCARBON COMPOUND USING THE CATALYST Ube Industries, Ltd. (JP) 2013-04-17 EP disclosed
US-20130041174-A1 CATALYST FOR ALKYLATION AND PROCESS FOR PRODUCING ALKYLAROMATIC HYDROCARBON COMPOUND USING THE CATALYST UBE INDUESTRIES, LTD. (JP) 2013-02-14 US disclosed
US-20130041174-A1 CATALYST FOR ALKYLATION AND PROCESS FOR PRODUCING ALKYLAROMATIC HYDROCARBON COMPOUND USING THE CATALYST UBE INDUESTRIES, LTD. (JP) 2013-02-14 US disclosed
US-20130041174-A1 CATALYST FOR ALKYLATION AND PROCESS FOR PRODUCING ALKYLAROMATIC HYDROCARBON COMPOUND USING THE CATALYST UBE INDUESTRIES, LTD. (JP) 2013-02-14 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
WO-2011155400-A1 CATALYST FOR ALKYLATION AND PROCESS FOR PRODUCING ALKYLAROMATIC HYDROCARBON COMPOUND USING THE CATALYST 宇部興産株式会社 (JP) 2011-12-15 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 (3 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 SLC6A3 2448/4885SLC6A2 4245/4885SLC6A4 3151/4885
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 SLC6A3 2937/4885SLC6A2 4650/4885SLC6A4 3443/4885
US-20130041174-A1 CATALYST FOR ALKYLATION AND PROCESS FOR PRODUCING ALKYLAROMATIC HYDROCARBON COMPOUND USING THE CATALYST AHR, ARNT, ALKBH3 SLC6A3 3581/4885SLC6A2 3161/4885SLC6A4 1852/4885

“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.