SCHEMBL10028985

SCHEMBL10028985

c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7ccccc67)ccc6ccc3c4c65)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.38
CYP1A2 P05177 4/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
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
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PPARG P37231 5/20 0.31
PPARA Q07869 5/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
CYP2C9 P11712 3/20 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
SCHEMBL10028998 0.99 SIGMAR1 (0.37) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL17263970 0.97 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL17263999 0.97 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL557128 0.94 SIGMAR1 (0.34) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL10028987 0.94 SIGMAR1 (0.34) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL12433897 0.93 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL12433945 0.93 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL23872033 0.92 SIGMAR1 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL18174836 0.92 CYP1A2 (0.38) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL18174843 0.92 CYP1A2 (0.40) SIGMAR1CYP1A2ALDH1A1THRBHPGD

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 143/4885ALDH1A1 122/4885

“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.