SCHEMBL10136020

SCHEMBL10136020

c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
SIGMAR1 Q99720 4/20 0.35
ACMSD Q8TDX5 2/20 0.35
ALOX5 P09917 3/20 0.34
PTGES O14684 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL10135872 0.99 HSD17B1 (0.38) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL10135983 0.99 HSD17B1 (0.38) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL10136118 0.99 HSD17B1 (0.38) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL17471800 0.98 HSD17B1 (0.40) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL18466545 0.97 HSD17B1 (0.37) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL21031311 0.97 HSD17B1 (0.37) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL19262023 0.97 HSD17B1 (0.37) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL19565026 0.97 HSD17B1 (0.37) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL10136022 0.97 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2SIGMAR1
SCHEMBL10136015 0.97 HSD17B1 (0.38) HSD17B1HSD17B2ESR1ESR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080303417-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 US disclosed
US-20080303417-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 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-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 HSD17B1 4283/4885HSD17B2 3878/4885ESR1 1177/4885
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME NAT1, AFF1, AOC2 HSD17B1 2259/4885HSD17B2 2244/4885ESR1 193/4885
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 HSD17B1 4330/4885HSD17B2 3940/4885ESR1 1224/4885
US-20080303417-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same DDC, AOC2, ALKBH2 HSD17B1 4358/4885HSD17B2 3981/4885ESR1 842/4885

“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.