SCHEMBL557047

SCHEMBL557047

c1ccc(Nc2ccc3ccccc3c2-c2ccc3ccc4c(-c5ccc(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc6)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CDC25B P30305 1/20 0.35
ATM Q13315 1/20 0.35
CHAT P28329 1/20 0.32
SNCA P37840 1/20 0.32
ALK Q9UM73 1/20 0.31
ACP1 P24666 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
SCHEMBL21699686 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL12433896 0.80 GSTP1 (0.35) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL18174842 0.80 GSTP1 (0.35) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL75981 0.80 ALDH1A1 (0.38) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL10028989 0.79 GSTP1 (0.30)
SCHEMBL557046 0.79 GSTP1 (0.30)
SCHEMBL18174851 0.78 CYP1A2 (0.39) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL18174852 0.78 CYP1A2 (0.41) ALDH1A1CYP3A4HPGDHSD17B10TP53
SCHEMBL17264045 0.77 GSTP1 (0.31) ALDH1A1CYP3A4
SCHEMBL10028986 0.77 GSTP1 (0.31) ALDH1A1CYP3A4

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 2 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

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 ALDH1A1 122/4885CYP3A4 1317/4885HPGD 4753/4885

“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.