SCHEMBL4083817

SCHEMBL4083817

CC(C)c1ccc(N(c2ccc3c(C(C)C)cc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL13171185 0.94 TNKS (0.35) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL17572976 0.93 TNKS (0.38) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL9976985 0.92 TNKS (0.36) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL21401652 0.91
SCHEMBL17572960 0.90 ALOX5 (0.32) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL4079852 0.90 TNKS (0.35) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL22424995 0.89 MEN1 (0.30)
SCHEMBL18101684 0.88 TNKS (0.39) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL879273 0.88 TNKS (0.39) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL18799373 0.86 TNKS (0.36) TNKSPARP1TNKS2HDAC6PARP2

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 TNKS 3811/4885PARP1 1597/4885TNKS2 3532/4885

“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.