SCHEMBL10165404

SCHEMBL10165404

Cc1cc(C(C)(C)C)c(C)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CA1 P00915 3/20 0.37
POLB P06746 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
TYR P14679 2/20 0.37
ALOX15 P16050 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
NQO1 P15559 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19185801 0.80 NQO1 (0.33) CA1CA9KDM4EMAPTNQO1
SCHEMBL547874 0.80 MAPT (0.35) ALDH1A1SMN1; SMN2CA1POLBCA2
SCHEMBL14506378 0.77 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2CA1POLBCA2
SCHEMBL22693489 0.77 CYP1A1 (0.40) ALDH1A1CA1CA9KDM4ECYP1A2
SCHEMBL820796 0.77 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2CA1POLBCA2
SCHEMBL21720746 0.75 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CA1POLBCA2
SCHEMBL21720739 0.75 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CA1POLBCA2
SCHEMBL21720688 0.75 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CA1POLBCA2
SCHEMBL20843941 0.75 NQO1 (0.39) ALDH1A1SMN1; SMN2CA1POLBCA2
SCHEMBL15307453 0.75 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CA1POLBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11155567-B2 Sting agonist compounds and methods of use MERSANA THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE MERSANA THERAPEUTICS, INC. 2021-02-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-10334851-B2 Herbicidal isoxazolo[5,4-B]pyridines BASF SE (DE) 2019-07-02 US disclosed
US-20190127354-A1 2,4,6,7-TETRASUBSTITUTED QUINOLINE COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2019-05-02 US disclosed
US-10196356-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-05 US disclosed
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-06-07 US disclosed
US-9902703-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-02-27 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20110136874-A1 FUNGICIDAL N-(2-PYRIDYLPROPYL) CARBOXAMIDE DERIVATIVES AND THEIR OXA, AZA AND THIA ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-06-09 US disclosed
US-20110136874-A1 FUNGICIDAL N-(2-PYRIDYLPROPYL) CARBOXAMIDE DERIVATIVES AND THEIR OXA, AZA AND THIA ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-06-09 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 US disclosed
WO-2007113327-A2 FUNGICIDE N-CYCLOPROPYL-SULFONYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-10-11 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 (15 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885SMN1; SMN2 1844/4885CA1 1909/4885
US-10334851-B2 Herbicidal isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 ALDH1A1 292/4885SMN1; SMN2 4074/4885CA1 1882/4885
US-10196356-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof TST, TXN, TXNRD2 ALDH1A1 218/4885SMN1; SMN2 1272/4885CA1 3057/4885
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B ALDH1A1 3359/4885SMN1; SMN2 1767/4885CA1 916/4885
US-11155567-B2 Sting agonist compounds and methods of use STING1, IRF3, MAVS ALDH1A1 4848/4885SMN1; SMN2 2815/4885CA1 4862/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B ALDH1A1 3359/4885SMN1; SMN2 1767/4885CA1 916/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885CA1 4296/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885CA1 4296/4885
US-20190127354-A1 2,4,6,7-TETRASUBSTITUTED QUINOLINE COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES DNMT3B, DNMT1, DNMT3A ALDH1A1 308/4885SMN1; SMN2 2894/4885CA1 4657/4885
US-20110136874-A1 FUNGICIDAL N-(2-PYRIDYLPROPYL) CARBOXAMIDE DERIVATIVES AND THEIR OXA, AZA AND THIA ANALOGUES PNPO, AZI2, CYP51A1 ALDH1A1 1811/4885SMN1; SMN2 3390/4885CA1 4064/4885
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF TST, TXN, TXNRD2 ALDH1A1 218/4885SMN1; SMN2 1272/4885CA1 3057/4885
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS ALDH1A1 4848/4885SMN1; SMN2 2815/4885CA1 4862/4885
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives CYP51A1, ME2, ME3 ALDH1A1 1267/4885SMN1; SMN2 2716/4885CA1 3106/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC ALDH1A1 2104/4885SMN1; SMN2 4177/4885CA1 3881/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 ALDH1A1 2140/4885SMN1; SMN2 2319/4885CA1 1871/4885

“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.