SCHEMBL20714833

SCHEMBL20714833

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MPI P34949 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GPR84 Q9NQS5 4/20 0.42
▸ ATM Q13315 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL23820835 0.98 CYP11B1 (0.44) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL23448038 0.98 CYP11B1 (0.44) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL23448079 0.98 CYP11B1 (0.46) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL25403974 0.98 CYP11B1 (0.46) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24221779 0.98 CYP11B1 (0.46) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL23448902 0.98 CYP11B1 (0.46) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL23822065 0.98 CYP11B1 (0.46) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL23448088 0.97 ALDH1A1 (0.43) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL23448092 0.97 ALDH1A1 (0.43) CYP11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24221781 0.97 ALDH1A1 (0.43) CYP11B1MEN1KMT2AALDH1A1MAPT

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 CYP11B1 297/4885MEN1 500/4885KMT2A 393/4885
US-20190039996-A1 MONOAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME MAOA, MAOB, COMT CYP11B1 297/4885MEN1 500/4885KMT2A 393/4885

“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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