SCHEMBL13694599

SCHEMBL13694599

Brc1ccc2c(-c3ccccc3)c(-c3ccccc3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ITGA4 P13612 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ DCLK1 O15075 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ FER P16591 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MARK3 P27448 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ CSNK1D P48730 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
SCHEMBL1505776 0.83 ESR1 (0.43) L3MBTL1ALDH1A1MAPK1MEN1HSP90AA1
SCHEMBL16331784 0.79 ALDH1A1 (0.53) L3MBTL1ITGA4ALDH1A1MEN1HSP90AA1
SCHEMBL18590855 0.78 L3MBTL1 (0.51) L3MBTL1ITGA4ALDH1A1MEN1HSP90AA1
SCHEMBL13129264 0.78 L3MBTL1 (0.52) L3MBTL1ITGA4MEN1HSP90AA1KMT2A
SCHEMBL14615110 0.78 ALOX5 (0.34) ALDH1A1MAPK1HSP90AA1CYP19A1DCLK1
SCHEMBL14615049 0.78 CYP2C9 (0.44) ALDH1A1MEN1KMT2APRNPPPARG
SCHEMBL14615109 0.78 CYP2A6 (0.36) ALDH1A1MAPK1MEN1KMT2ADCLK1
SCHEMBL1294397 0.77 L3MBTL1 (0.68) L3MBTL1ITGA4MEN1HSP90AA1KMT2A
SCHEMBL12761732 0.76 ESR1 (0.38) L3MBTL1ALDH1A1RXFP1MAPTPAX8
Ammonia Solution, Strong SCHEMBL28387195 0.76 L3MBTL1 (0.66) L3MBTL1ITGA4MEN1HSP90AA1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150303384-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-10-22 — — US disclosed
US-20150303384-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-10-22 — — US disclosed
US-20150303384-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-10-22 — — US disclosed
US-20090230855-A1 Novel organic compound and organic light emitting device comprising the same SAMSUNG ELECTRONICS CO., LTD., A CORPORATION CHARTERED IN AND EXISTING UNDER THE LAWS OF THE REPUBLIC OF KOREA (KR) 2009-09-17 — — US disclosed
US-20090230855-A1 Novel organic compound and organic light emitting device comprising the same SAMSUNG ELECTRONICS CO., LTD., A CORPORATION CHARTERED IN AND EXISTING UNDER THE LAWS OF THE REPUBLIC OF KOREA (KR) 2009-09-17 — — 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-20090230855-A1 Novel organic compound and organic light emitting device comprising the same ARL1, NR2E3, CRY2 L3MBTL1 1766/4885ITGA4 1337/4885ALDH1A1 130/4885
US-20150303384-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CRY2 L3MBTL1 1595/4885ITGA4 4160/4885ALDH1A1 1119/4885

“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.

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