SCHEMBL4084913

SCHEMBL4084913

c1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4-c4cccc5c4oc4ccccc45)c4ccccc34)cc2)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
GGPS1 O95749 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
PLA2G2A P14555 3/20 0.39
PLA2G4A P47712 3/20 0.39
PRKDC P78527 6/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL125745 0.94 ALOX5 (0.49) ALOX5GGPS1CA12CA1CA2
SCHEMBL27341542 0.91 ALOX5 (0.50) ALOX5GGPS1CA12CA1CA2
SCHEMBL126776 0.91 ALOX5 (0.48) ALOX5GGPS1CA12CA1CA2
SCHEMBL17539852 0.90 ALOX5 (0.51) ALOX5GGPS1CA12CA1CA2
SCHEMBL17539832 0.90 ALOX5 (0.50) ALOX5GGPS1CA12CA1CA2
SCHEMBL14224998 0.90 ALOX5 (0.50) ALOX5GGPS1CA12CA1CA2
SCHEMBL15195402 0.89 ALOX5 (0.51) ALOX5GGPS1CA12CA1CA2
SCHEMBL126276 0.89 ALOX5 (0.56) ALOX5GGPS1CA12CA1CA2
SCHEMBL126439 0.89 ALOX5 (0.56) ALOX5GGPS1CA12CA1CA2
SCHEMBL125744 0.89 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2PIK3CD

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-8431250-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-30 US disclosed
US-8431250-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-30 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 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-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AR, H1-4, AFF4 ALOX5 3494/4885GGPS1 4695/4885CA12 3085/4885

“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.