SCHEMBL802084

SCHEMBL802084

CC(C)(C)OC(=O)n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.54
CCNB2 O95067 1/20 0.54
CCNB1 P14635 1/20 0.54
GSK3B P49841 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
TSPO P30536 2/20 0.48
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
NR1H2 P55055 9/20 0.44
GABRA1 P14867 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRA6 Q16445 1/20 0.44
LMNA P02545 1/20 0.44
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL29357718 1.00 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL409607 0.93 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL15456145 0.92 CDK1 (0.49) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL30022454 0.87 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL13696680 0.87 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL2186140 0.86 CCNB2 (0.49) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL15280123 0.84 CHRM2 (0.50) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL27985045 0.84 CHRM2 (0.50) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL6483062 0.83 CHRM2 (0.49) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL13932559 0.83 CHRM2 (0.49) CDK1CCNB2CCNB1GSK3BCCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
CN-115335046-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-11-11 CN disclosed
EP-3943492-A1 TADF MATERIALS COMPRISING 4-(3-(2-(10H-PHENOXAZIN-10-YL)PYRIDIN-5-YL)-9H-CARBAZOL-9-YL)BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN OLEDS Noctiluca S.A. (PL) 2022-01-26 EP disclosed
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 WO disclosed
US-10351557-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2019-07-16 US disclosed
US-10319912-B2 Charge-transporting material and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-11 US disclosed
US-10270036-B2 Polymer, composition including the polymer, and organic light-emitting device including the polymer SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-04-23 US disclosed
US-20180182967-A1 POLYMER, COMPOSITION INCLUDING THE POLYMER, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE POLYMER SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-06-28 US disclosed
CN-102448946-B Material for organic electroluminescent device MERCK PATENT GMBH (DE) 2015-10-21 CN disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
WO-2014021569-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SK CHEMICALS CO., LTD. (KR) 2014-02-06 WO disclosed
US-20130092879-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-04-18 US disclosed
US-20130092879-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-04-18 US disclosed
CN-102947304-A Compounds for electronic devices MERCK PATENT GMBH 2013-02-27 CN disclosed
CN-102448946-A Material for organic electroluminescent device MERCK PATENT GMBH 2012-05-09 CN disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 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 (4 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 CDK1 2283/4885CCNB2 1919/4885CCNB1 1903/4885
US-10351557-B2 Compounds for electronic devices CYP1B1, CYP2C19, CYP1A1 CDK1 1083/4885CCNB2 1129/4885CCNB1 1112/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CDK1 2210/4885CCNB2 1080/4885CCNB1 1009/4885
US-20130092879-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP2C19, CYP1A1 CDK1 1083/4885CCNB2 1093/4885CCNB1 1096/4885

“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.