SCHEMBL2969843

SCHEMBL2969843

CC(C)(C)c1ccc(N)c(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.48
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
CA1 P00915 2/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TYR P14679 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 3/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL30627998 1.00 CA2 (0.48) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL10906475 0.81 CA2 (0.56) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL16815118 0.80 CA2 (0.50) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL6061735 0.79 CA2 (0.32) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL29601537 0.77 CA2 (0.52) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL9812320 0.77 CA2 (0.31) CA2ALDH1A1POLBTSHRTDP1
SCHEMBL967306 0.77 CA2 (0.52) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL65428 0.77 CA2 (0.52) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL17363913 0.77 CA2 (0.52) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL30772983 0.77 CA2 (0.52) CA2GABRA1GABRB2ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105907444-A Additive containing thiadiazole derivative, nano copper and graphene, preparation method of the additive, and lubricant oil containing the additive 济宁利特纳米技术有限责任公司 2016-08-31 CN claimed
CN-105886002-A Lubricating oil additive containing thiadiazole derivatives and nano copper, preparation method of additive and lubricating oil containing additive 济宁利特纳米技术有限责任公司 2016-08-24 CN claimed
EP-3053992-A1 Biodiesel LANXESS Deutschland GmbH (DE) 2016-08-10 EP claimed
CN-105061361-A Nanometer anti-wear particle formed through reaction of thiadiazole derivative and rare earth element, and preparation method and application thereof YANTAI HENGNUO CHEMICAL TECHNOLOGY CO LTD 2015-11-18 CN claimed
CN-113164941-B Catalyst system comprising a metathesis catalyst and at least one phenolic compound and method for metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2023-12-12 CN disclosed
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
US-20220032279-A1 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO DEUTSCHLAND GMBH (DE) 2022-02-03 US disclosed
EP-3894074-A2 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO Deutschland GmbH (DE) 2021-10-20 EP disclosed
CN-113164941-A Catalyst system comprising a metathesis catalyst and at least one phenolic compound and process for the metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2021-07-23 CN disclosed
WO-2020120207-A2 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO DEUTSCHLAND GMBH (DE) 2020-06-18 WO disclosed
EP-3053992-A1 Biodiesel LANXESS Deutschland GmbH (DE) 2016-08-10 EP disclosed
CN-105838479-A Thiadiazole-derivative/graphene-containing lubricating oil additive and preparation method thereof, and lubricating oil containing additive 济宁利特纳米技术有限责任公司 2016-08-10 CN disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
WO-2011072241-A9 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 WO disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 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 (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-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CA2 2330/4885GABRA1 1047/4885GABRB2 336/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CA2 2330/4885GABRA1 1047/4885GABRB2 336/4885

“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.