SCHEMBL20714838

SCHEMBL20714838

c1ccc(N(c2ccc(-c3ccccc3-c3ccccc3-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MCL1 Q07820 1/20 0.40
▸ ACMSD Q8TDX5 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PPARG P37231 7/20 0.39
▸ PPARA Q07869 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL24221789 0.97 ALDH1A1 (0.46) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23820842 0.95 ALDH1A1 (0.45) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL30701839 0.94 ALDH1A1 (0.44) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL22671303 0.94 ALDH1A1 (0.44) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL24221787 0.94 ALDH1A1 (0.44) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23448813 0.93 ALDH1A1 (0.46) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23821161 0.92 ALDH1A1 (0.43) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23821134 0.92 MCL1 (0.40) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23448100 0.91 ALDH1A1 (0.42) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL22671203 0.91 ALDH1A1 (0.44) ALDH1A1HPGDTSHRMAPK1CASP1

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-11230521-B2 Monoamine compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-01-25 — — US disclosed
US-20190039996-A1 MONOAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-07 — — 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 (2 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-11230521-B2 Monoamine compound and organic electroluminescence device including the same MAOA, MAOB, COMT ALDH1A1 51/4885HPGD 1970/4885TSHR 1151/4885
US-20190039996-A1 MONOAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME MAOA, MAOB, COMT ALDH1A1 51/4885HPGD 1970/4885TSHR 1151/4885

“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.

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