SCHEMBL548076

SCHEMBL548076

COc1cccc(C)c1-c1c(C)cccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA12 O43570 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA4 P22748 1/20 0.52
ALDH1A1 P00352 3/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TOP1 P11387 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL19608998 0.97 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL14450999 0.92 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL8012717 0.89 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL19373824 0.89 MAPT (0.48) CA1CA2CA7CA9CA12
SCHEMBL17414696 0.87 TP53 (0.57) CA1CA2CA7CA9CA12
SCHEMBL9446206 0.84 SYK (0.50) CA1CA2CA7CA9CA12
SCHEMBL12104260 0.84 TOP1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL28148154 0.83 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL20983131 0.83 RPS6KA2 (0.47) CA1CA2CA7CA9CA12
SCHEMBL28641928 0.82 AR (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958893-B1 ASYMMETRIC SYNTHESIS OF A SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDE HOFFMANN LA ROCHE (CH) 2017-05-03 EP disclosed
US-8263798-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-09-11 US disclosed
US-8263798-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-09-11 US disclosed
US-8252952-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-08-28 US disclosed
US-8252952-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-08-28 US disclosed
US-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-05-03 US disclosed
US-20120101310-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-7935829-B2 Manufacture of thiolactones DSM IP ASSETS B.V. (NL) 2011-05-03 US disclosed
US-7803952-B2 Manufacture of lactones DSM IP ASSETS B.V. (NL) 2010-09-28 US disclosed
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2010-02-04 US disclosed
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2010-02-04 US disclosed
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2010-02-04 US disclosed
US-20090048455-A1 Manufacture of Thiolactones DSM IP ASSETS B.V. (NL) 2009-02-19 US disclosed
US-20090043106-A1 Manufacture of Lactones DSM IP ASSETS B.V. (NL) 2009-02-12 US disclosed
US-6686495-B2 IN PRESENCE OF PALLADIUM CATALYST; USEFUL IN PRODUCING CHEMICAL INTERMEDIATES FOR PHARMACEUTICALS, OPTICAL BRIGHTENING AGENTS AND AGROCHEMICALS OMG AG & CO KG (DE) 2004-02-03 US disclosed
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls UMICORE AG & CO. KG (DE) 2002-08-08 US disclosed
EP-1199292-A1 Process for the production of mono-, bi- or polyfunctional biaryls OMG AG & Co. KG (DE) 2002-04-24 EP 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 (7 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-20090048455-A1 Manufacture of Thiolactones TST, TMT1A, TXN CA1 749/4885CA2 2117/4885CA7 1701/4885
US-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 CA1 938/4885CA2 274/4885CA7 357/4885
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 CA1 915/4885CA2 392/4885CA7 439/4885
US-20090043106-A1 Manufacture of Lactones CA1, CA12, COASY CA1 1/4885CA2 13/4885CA7 18/4885
US-20120101310-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 CA1 938/4885CA2 274/4885CA7 357/4885
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 CA1 938/4885CA2 274/4885CA7 357/4885
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls CYP4F3, CYP4F2, CYP2F1 CA1 1948/4885CA2 2414/4885CA7 1284/4885

“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.