SCHEMBL2789682

SCHEMBL2789682

Brc1ccc2ccc3c(-c4ccc5ccccc5c4)ccc4ccc1c2c43

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.46
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP2A6 P11509 1/20 0.38
CYP1A2 P05177 5/20 0.38
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.38
DHFR P00374 1/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
ALOX5 P09917 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B1 P14061 1/20 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
SCHEMBL29950077 1.00 GSTP1 (0.46) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL22256166 0.94 HSD17B1 (0.42) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL31488899 0.94 ESR1 (0.43) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL3689351 0.90 GSTP1 (0.43) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL5566042 0.90 GSTP1 (0.43) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL3687907 0.89 GSTP1 (0.55) GSTP1HDAC4HDAC2HDAC8CYP1A2
SCHEMBL3792915 0.89 GSTP1 (0.55) GSTP1HDAC4HDAC2HDAC8CYP1A2
SCHEMBL2164353 0.86 GSTP1 (0.52) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL29541386 0.86 GSTP1 (0.52) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL2789566 0.86 GSTP1 (0.52) GSTP1HDAC4HDAC2HDAC8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106883203-B Derivative based on pyrene and naphthalene benzofuran, preparation method, application and device thereof 湖北尚赛光电材料有限公司 2022-09-27 CN disclosed
US-11139438-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 US disclosed
US-20190280209-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JNC CORPORATION (JP) 2019-09-12 US disclosed
US-20190229277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-07-25 US disclosed
US-9837614-B2 Condensed-cyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-05 US disclosed
US-9837614-B2 Condensed-cyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-05 US disclosed
US-9520566-B2 Condensed cyclic compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-13 US disclosed
US-9520566-B2 Condensed cyclic compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-13 US disclosed
US-20150069342-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 US disclosed
US-20150069342-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 US disclosed
US-8524380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-09-03 US disclosed
US-8524380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-09-03 US disclosed
EP-2028249-B1 MATERIAL FOR LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2013-05-08 EP disclosed
EP-2292602-B1 Phenaleno[1,9-fg]indole based organic light-emitting devices SAMSUNG DISPLAY CO LTD (KR) 2012-12-12 EP disclosed
EP-2292602-A1 Phenaleno[1,9-fg]indole based organic light-emitting devices Samsung Mobile Display Co., Ltd. (KR) 2011-03-09 EP disclosed
US-20110049490-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2011-03-03 US disclosed
US-20110049490-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2011-03-03 US disclosed
US-20100163852-A1 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2010-07-01 US disclosed
CN-101473012-A Material for light-emitting device, and light-emitting device TORAY INDUSTRIES (JP) 2009-07-01 CN disclosed
EP-2028249-A1 MATERIAL FOR LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING DEVICE Toray Industries, Inc. (JP) 2009-02-25 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 (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-20190229277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, NFE2L2, ESR2 GSTP1 2480/4885HDAC4 3725/4885HDAC2 1162/4885
US-11139438-B2 Organic electroluminescent element ELP1, NFE2L2, ESR2 GSTP1 2480/4885HDAC4 3725/4885HDAC2 1162/4885
US-20110049490-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC1, TRPC4, LAGE3 GSTP1 1772/4885HDAC4 1615/4885HDAC2 2068/4885
US-20100163852-A1 Material for light-emitting device and light-emitting device CRY1, CRY2, S100A10 GSTP1 1031/4885HDAC4 4484/4885HDAC2 4084/4885

“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.