SCHEMBL10028987

SCHEMBL10028987

c1ccc(N(c2cccc3ccccc23)c2ccc3ccc4c(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.34
CYP1A2 P05177 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PPARG P37231 5/20 0.31
PPARA Q07869 5/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARD Q03181 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
SCHEMBL557128 1.00 SIGMAR1 (0.34) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL556604 0.98 SIGMAR1 (0.34) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL556520 0.96 SIGMAR1 (0.35) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL10029014 0.95 ERBB2 (0.34) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL10028985 0.94 SIGMAR1 (0.38) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL10029019 0.93 ERBB2 (0.34) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL10028998 0.93 SIGMAR1 (0.37) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL10029015 0.92 CYP1A2 (0.35) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL10028986 0.92 GSTP1 (0.31) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL556217 0.92 GSTP1 (0.31) 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 SIGMAR1 1436/4885CYP1A2 143/4885ERBB2 552/4885

“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.