SCHEMBL9917173

SCHEMBL9917173

Cc1ccc(-c2ccc(-c3ccc4oc5ccc(-c6cccc7ccccc67)cc5c4c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAOA P21397 1/20 0.50
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
FLT3 P36888 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.39
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL25775075 0.93 MAOB (0.55) MAOBMAOAALDH1A1MAPTENPP3
SCHEMBL12203227 0.92 ALDH1A1 (0.49) MAOBMAOAALDH1A1MAPTTNKS
SCHEMBL13979514 0.89 MCL1 (0.47) MAOBMAOAALDH1A1MAPTENPP3
SCHEMBL25775080 0.89 MAOB (0.51) MAOBMAOAALDH1A1MAPTENPP3
SCHEMBL13979513 0.87 CA12 (0.47) MAOBMAOAALDH1A1MAPTCA12
SCHEMBL1636404 0.86 MCL1 (0.45) MAOBMAOAALDH1A1MAPTENPP3
SCHEMBL25775076 0.86 MAOB (0.51) MAOBMAOAALDH1A1MAPTENPP3
SCHEMBL20462458 0.85 MAOB (0.43) MAOBMAOAALDH1A1MAPTENPP3
SCHEMBL26262411 0.85 CA12 (0.48) MAOBMAOAALDH1A1MAPTENPP3
SCHEMBL9916168 0.85 TNKS (0.46) MAOBMAOAALDH1A1MAPTENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 US disclosed
US-9614160-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 US disclosed
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-03-03 US disclosed
US-9260390-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2016-02-16 US disclosed
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-14 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 (3 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-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL MAOB 331/4885MAOA 65/4885ALDH1A1 340/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 MAOB 208/4885MAOA 69/4885ALDH1A1 538/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 MAOB 208/4885MAOA 69/4885ALDH1A1 538/4885

“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.