SCHEMBL557550

SCHEMBL557550

Brc1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
BIRC5 O15392 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX5 P09917 1/20 0.33
ACMSD Q8TDX5 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
GSTP1 P09211 1/20 0.31

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
SCHEMBL17807015 0.93 CYP2A6 (0.41) CYP2A6ESR1ESR2HSD17B1HSD17B2
SCHEMBL12476146 0.92 ALDH1A1 (0.40) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL10028984 0.92 ESR1 (0.43) CYP11B1CYP11B2ESR1ESR2HSD17B1
SCHEMBL24686786 0.92 ESR1 (0.43) CYP11B1CYP11B2ESR1ESR2HSD17B1
SCHEMBL10028983 0.89 ESR1 (0.41) CYP11B1CYP11B2ESR1ESR2HSD17B1
SCHEMBL5956963 0.89 CYP2A6 (0.44) CYP2A6SIGMAR1CYP1B1
SCHEMBL17471799 0.89 SIGMAR1 (0.39) CYP2A6ESR1ESR2HSD17B1HSD17B2
SCHEMBL14490057 0.89 ESR1 (0.46) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL75616 0.89 SIGMAR1 (0.39) CYP2A6ESR1ESR2HSD17B1HSD17B2
SCHEMBL29512089 0.89 SIGMAR1 (0.39) CYP2A6ESR1ESR2HSD17B1HSD17B2

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-8586211-B2 Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-11-19 US disclosed
US-8586211-B2 Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-11-19 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 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 (1 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-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same AOC2, ALKBH2, ALKBH1 CYP2A6 858/4885CYP11B1 2429/4885CYP11B2 2081/4885

“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.