SCHEMBL21102243

SCHEMBL21102243

OB(O)c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.58
▸ GGPS1 O95749 1/20 0.46
▸ PTGES2 Q9H7Z7 1/20 0.43
▸ PRKDC P78527 5/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ AHR P35869 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL30980094 0.90 ALOX5 (0.61) ALOX5GGPS1PTGES2PRKDCMGLL
SCHEMBL283154 0.90 ALOX5 (0.61) ALOX5GGPS1PTGES2PRKDCMGLL
SCHEMBL1687979 0.87 ALOX5 (0.68) ALOX5GGPS1PTGES2PRKDCATM
SCHEMBL30120167 0.87 ALOX5 (0.68) ALOX5GGPS1PTGES2PRKDCATM
SCHEMBL29427625 0.86 ALOX5 (0.60) ALOX5GGPS1PTGES2PRKDCMGLL
SCHEMBL3862262 0.86 ALOX5 (0.60) ALOX5GGPS1PTGES2PRKDCMGLL
SCHEMBL28594941 0.82 ALOX5 (0.47) ALOX5GGPS1PTGES2PRKDCMGLL
SCHEMBL26272496 0.82 ALOX5 (0.44) ALOX5GGPS1PTGES2PRKDCMGLL
SCHEMBL12996512 0.82 ALOX5 (0.71) ALOX5GGPS1PTGES2PRKDCATM
SCHEMBL25586142 0.82 ALOX5 (0.59) ALOX5GGPS1PTGES2PRKDCMGLL

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-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-01 — — US disclosed
WO-2019115577-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-06-20 — — WO 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-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES DDC, CHRM5, AFF2 ALOX5 2670/4885GGPS1 2850/4885PTGES2 4149/4885

“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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