SCHEMBL10029016

SCHEMBL10029016

Brc1ccc2ccc3c(-c4ccc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)cc4)ccc4ccc1c2c43

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.32
GSTP1 P09211 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ERBB2 P04626 1/20 0.30
FYN P06241 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL556987 0.99 CYP1A2 (0.33) CYP1A2GSTP1CYP2A6ERBB2FYN
SCHEMBL555787 0.96 CYP1A2 (0.31) CYP1A2GSTP1CYP2A6
SCHEMBL15803130 0.89 CYP1A2 (0.35) CYP1A2
SCHEMBL557181 0.88 CYP1A2 (0.33) CYP1A2CA1CA2CA9ERBB2
SCHEMBL12433896 0.88 GSTP1 (0.35) CYP1A2GSTP1ESR1ESR2ERBB2
SCHEMBL18174842 0.88 GSTP1 (0.35) CYP1A2GSTP1ESR1ESR2ERBB2
SCHEMBL18174852 0.88 CYP1A2 (0.41) CYP1A2GSTP1ESR1ESR2ERBB2
SCHEMBL556142 0.88 CYP1A2 (0.36) CYP1A2
SCHEMBL31488899 0.86 ESR1 (0.43) CYP1A2GSTP1ESR1ESR2CYP2A6
SCHEMBL15803143 0.86 CYP1A2 (0.34) CYP1A2ERBB2FYNMAOAACHE

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 3 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-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 CYP1A2 143/4885GSTP1 4604/4885ESR1 280/4885

“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.