SCHEMBL4186336

SCHEMBL4186336

N#Cc1ccc(N(c2cc3ccc(N(c4ccc(C#N)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc5cccc2c5c34)c2cccc3c2oc2ccccc23)c(-c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.34
TNKS O95271 1/20 0.32
ADORA2A P29274 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAOB P27338 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX5 P09917 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30

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
SCHEMBL4184051 0.96 PGR (0.36) PGRTNKSADORA2AKDM4EALDH1A1
SCHEMBL4084808 0.93 PGR (0.30) PGR
SCHEMBL26262608 0.89 PGR (0.35) PGRTNKSALDH1A1ALOX5
SCHEMBL4079279 0.89 PGR (0.32) PGR
SCHEMBL26286204 0.84
SCHEMBL10083946 0.84 TNKS (0.33) PGRTNKSALDH1A1
SCHEMBL26266694 0.83 PGR (0.33) PGRALDH1A1
SCHEMBL4083880 0.83 ALOX5 (0.38) PGRKDM4EALDH1A1MAOBRAB9A
SCHEMBL18798598 0.83 ALOX5 (0.38) PGRKDM4EALDH1A1MAOBRAB9A
SCHEMBL20696438 0.83 ALOX5 (0.36) KDM4EALDH1A1MAOBRAB9AALOX5

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-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 PGR 1308/4885TNKS 3811/4885ADORA2A 728/4885

“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.