SCHEMBL4079303

SCHEMBL4079303

c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
AHR P35869 2/20 0.39
DUSP3 P51452 1/20 0.38
PLA2G2A P14555 2/20 0.38
PLA2G4A P47712 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX5 P09917 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PLA2G10 O15496 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PSD A5PKW4 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
SCHEMBL22707243 0.96 AHR (0.41) HCRTR1AHRDUSP3KDM4EALDH1A1
SCHEMBL22062776 0.95 AHR (0.41) HCRTR1AHRDUSP3PLA2G2APLA2G4A
SCHEMBL22707516 0.93 MMP12 (0.38) HCRTR1AHRDUSP3PLA2G2APLA2G4A
SCHEMBL126457 0.92 PLA2G2A (0.41) AHRPLA2G2APLA2G4AKDM4EALDH1A1
SCHEMBL17945599 0.92 HCRTR1 (0.39) HCRTR1AHRDUSP3PLA2G2APLA2G4A
SCHEMBL22903480 0.92 AHR (0.42) HCRTR1AHRDUSP3KDM4EALDH1A1
SCHEMBL17932142 0.91 HCRTR1 (0.38) HCRTR1AHRDUSP3PLA2G2APLA2G4A
SCHEMBL21881094 0.91 AHR (0.41) HCRTR1AHRDUSP3KDM4EALDH1A1
SCHEMBL20857971 0.91 ALOX5 (0.43) HCRTR1AHRDUSP3PLA2G2APLA2G4A
SCHEMBL1687675 0.90 AHR (0.44) HCRTR1AHRDUSP3KDM4EALDH1A1

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 3 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

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 HCRTR1 2413/4885AHR 5/4885DUSP3 4860/4885

“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.