SCHEMBL10028989

SCHEMBL10028989

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7ccc8ccccc8c7)ccc7ccc4c5c76)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 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
SCHEMBL557046 1.00 GSTP1 (0.30) GSTP1ESR1ESR2RXRARXRB
SCHEMBL556217 0.99 GSTP1 (0.31) GSTP1RXRARXRB
SCHEMBL17264014 0.99 GSTP1 (0.31) GSTP1RXRARXRB
SCHEMBL10028986 0.99 GSTP1 (0.31) GSTP1RXRARXRB
SCHEMBL17264045 0.99 GSTP1 (0.31) GSTP1RXRARXRB
SCHEMBL557051 0.97 GSTP1 (0.30) GSTP1RXRARXRB
SCHEMBL17264041 0.96 GSTP1 (0.33) GSTP1
SCHEMBL18174842 0.92 GSTP1 (0.35) GSTP1ESR1ESR2
SCHEMBL12433896 0.92 GSTP1 (0.35) GSTP1ESR1ESR2
SCHEMBL17263972 0.92 ALDH1A1 (0.34) RXRARXRB

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 GSTP1 4604/4885ESR1 280/4885ESR2 97/4885

“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.