SCHEMBL10136022

SCHEMBL10136022

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
SIGMAR1 Q99720 6/20 0.35
PTGES O14684 3/20 0.34
ALOX5 P09917 3/20 0.34
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10136004 0.99 HSD17B1 (0.35) HSD17B1HSD17B2SIGMAR1PTGESALOX5
SCHEMBL10819248 0.99 HSD17B1 (0.35) HSD17B1HSD17B2SIGMAR1PTGESALOX5
SCHEMBL10136016 0.97 HSD17B1 (0.34) HSD17B1HSD17B2SIGMAR1PTGESALOX5
SCHEMBL10136020 0.97 HSD17B1 (0.39) HSD17B1HSD17B2SIGMAR1PTGESALOX5
SCHEMBL10136019 0.97 HSD17B1 (0.38) HSD17B1HSD17B2SIGMAR1PTGESALOX5
SCHEMBL18942903 0.97 HSD17B1 (0.38) HSD17B1HSD17B2SIGMAR1PTGESALOX5
SCHEMBL9000995 0.97 SIGMAR1 (0.37) HSD17B1HSD17B2SIGMAR1ALOX5ESR1
SCHEMBL10136015 0.97 HSD17B1 (0.38) HSD17B1HSD17B2SIGMAR1PTGESALOX5
SCHEMBL10136147 0.96 SIGMAR1 (0.33) HSD17B1HSD17B2SIGMAR1PTGESALOX5
SCHEMBL10135923 0.96 SIGMAR1 (0.33) HSD17B1HSD17B2SIGMAR1PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010068-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2020-12-09 EP disclosed
US-20160111665-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111665-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
EP-3010068-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-04-20 EP disclosed
US-8883324-B2 Aromatic amine derivative and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2014-11-11 US disclosed
US-8883324-B2 Aromatic amine derivative and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2014-11-11 US disclosed
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. 2012-11-29 US disclosed
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. 2012-11-29 US disclosed
US-20120228594-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-09-13 US disclosed
US-20120228594-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-09-13 US disclosed
US-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 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 (3 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-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 HSD17B1 4283/4885HSD17B2 3878/4885SIGMAR1 2116/4885
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME NAT1, AFF1, AOC2 HSD17B1 2259/4885HSD17B2 2244/4885SIGMAR1 468/4885
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 HSD17B1 4330/4885HSD17B2 3940/4885SIGMAR1 2138/4885

“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.