SCHEMBL9333343

SCHEMBL9333343

c1ccc(P(c2ccccc2)c2cncc(P(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.32
CDK2 P24941 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL2846416 0.82 TDP1 (0.55) CYP3A4TDP1KDM4EGAAESR1
SCHEMBL9333200 0.80 KDM4E (0.58) CYP3A4TDP1KDM4EGAAESR1
SCHEMBL9333180 0.80 KDM4E (0.58) CYP3A4TDP1KDM4EGAAESR1
SCHEMBL9333193 0.78 CYP3A4 (0.50) CYP3A4TDP1KDM4EGAAESR1
SCHEMBL10819836 0.76 HPGD (0.47) CYP3A4TDP1KDM4EGAA
SCHEMBL10819832 0.75 KDM4E (0.57) CYP3A4TDP1KDM4EGAAESR1
SCHEMBL5028587 0.71 TDP1 (1.00) CYP3A4TDP1KDM4EGAAESR1
Benzene SCHEMBL6890099 0.71 TDP1 (1.00) CYP3A4TDP1KDM4EGAAESR1
SCHEMBL2085135 0.71 TDP1 (1.00) CYP3A4TDP1KDM4EGAAESR1
SCHEMBL101 0.71 TDP1 (1.00) CYP3A4TDP1KDM4EGAAESR1

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-20080241589-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080241589-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
EP-0499329-B1 Carbonylation catalyst system SHELL INT RESEARCH (NL) 1994-05-04 EP disclosed
US-5189003-A Of group 8 metal or compound and a polyphosphine SHELL OIL COMPANY (US) 1993-02-23 US disclosed
EP-0499329-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-08-19 EP 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-20080241589-A1 ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, AOC2, L1CAM CYP3A4 522/4885TDP1 2687/4885KDM4E 2429/4885

“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.