SCHEMBL409607

SCHEMBL409607

CC(C)(C)OC(=O)n1c2ccc(Br)cc2c2cc(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
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA1 P14867 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRA6 Q16445 1/20 0.48
NR1H2 P55055 6/20 0.40
BAZ2B Q9UIF8 1/20 0.40
USP30 Q70CQ3 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DNM1 Q05193 3/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL802084 0.93 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL2186140 0.93 CCNB2 (0.49) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL29357718 0.93 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL2186936 0.89 CCNB2 (0.47) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL3197264 0.87 CDK1 (0.47) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL1920073 0.87 CDK1 (0.47) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL18941218 0.87 CDK1 (0.49) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL3200237 0.85 CDK1 (0.46) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL23723352 0.84 CDK1 (0.47) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL15456145 0.84 CDK1 (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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11538998-B2 Organic compound, light emitting diode and light emitting device having the compound LG DISPLAY CO., LTD. (KR) 2022-12-27 US disclosed
US-20200194678-A1 ORGANIC COMPOUND, LIGHT EMITTING DIODE AND LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2020-06-18 US disclosed
US-10183011-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-22 US disclosed
US-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 US disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9884820-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-9884820-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO disclosed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO disclosed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 US disclosed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 US disclosed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 US disclosed
US-20090233374-A1 Flourescent organic nanofibrils as sensory materials for explosives detection NATIONAL SCIENCE FOUNDATION 2009-09-17 US disclosed
US-20090039765-A1 LIGHT EMITTING POLYMER COMPOSITION AND POLYMER LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 US disclosed
US-20090039765-A1 LIGHT EMITTING POLYMER COMPOSITION AND POLYMER LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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 (8 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-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX CDK1 364/4885CCNB2 783/4885CCNB1 238/4885
US-20090039765-A1 LIGHT EMITTING POLYMER COMPOSITION AND POLYMER LIGHT EMITTING DEVICE CYBA, BCAT1, CRY1 CDK1 348/4885CCNB2 487/4885CCNB1 389/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX CDK1 364/4885CCNB2 783/4885CCNB1 238/4885
US-11538998-B2 Organic compound, light emitting diode and light emitting device having the compound BCL9L, L3MBTL4, LAGE3 CDK1 1499/4885CCNB2 1266/4885CCNB1 1484/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX CDK1 364/4885CCNB2 783/4885CCNB1 238/4885
US-20200194678-A1 ORGANIC COMPOUND, LIGHT EMITTING DIODE AND LIGHT EMITTING DEVICE HAVING THE COMPOUND BCL9L, L3MBTL4, LAGE3 CDK1 1499/4885CCNB2 1266/4885CCNB1 1484/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 CDK1 377/4885CCNB2 668/4885CCNB1 217/4885
US-20110003836-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF CDK1 295/4885CCNB2 729/4885CCNB1 512/4885

“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.