SCHEMBL17720615

SCHEMBL17720615

c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ AHR P35869 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ PLA2G2A P14555 4/20 0.33
▸ PLA2G4A P47712 4/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ TNKS O95271 2/20 0.32
▸ PLA2G10 O15496 1/20 0.32

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
SCHEMBL17720618 0.96 AHR (0.35) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL24472582 0.96 ALOX5 (0.37) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL17720651 0.96 AHR (0.37) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL25580960 0.95 ALOX5 (0.35) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL24471819 0.95 ALOX5 (0.38) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL24472017 0.95 ALOX5 (0.38) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL24472182 0.95 ALOX5 (0.38) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL17720613 0.95 PLA2G2A (0.39) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL17720625 0.95 PLA2G2A (0.39) ALOX5AHRMEN1KMT2AMAPT
SCHEMBL24472507 0.95 ALOX5 (0.38) ALOX5AHRMEN1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9947875-B2 Amine derivatives, material for organic electroluminescent device and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-17 — — US disclosed
US-9947875-B2 Amine derivatives, material for organic electroluminescent device and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-17 — — US disclosed
US-20160126467-A1 AMINE DERIVATIVES, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-05 — — US disclosed
US-20160126467-A1 AMINE DERIVATIVES, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-05 — — 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-20160126467-A1 AMINE DERIVATIVES, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME PNMT, ODC1, ALKBH1 ALOX5 1699/4885AHR 1159/4885MEN1 500/4885

“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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