SCHEMBL3791925

SCHEMBL3791925

Fc1ccccc1-c1ncccc1[Ir](c1cccnc1-c1ccccc1F)c1cccnc1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
PTPRC P08575 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
PTPN13 Q12923 1/20 0.40
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
PAX8 Q06710 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL15317422 0.76 KDM4E (0.54) KDM4ENPC1GABRG2GABRB3GABRA5
SCHEMBL30022581 0.76 PTGS1 (0.49) KDM4ENPC1GABRG2GABRB3GABRA5
SCHEMBL14877338 0.73 ADORA2A (0.48) KDM4ENPC1GABRG2GABRB3GABRA5
SCHEMBL15637997 0.73 GABRG2 (0.46) KDM4ENPC1GABRG2GABRB3GABRA5
SCHEMBL1115947 0.72 PTGS1 (0.41) KDM4EPTPRCCTSLCTSSPTPN13
SCHEMBL3296198 0.71 CHUK (0.45) KDM4ENPC1GABRG2GABRB3GABRA5
SCHEMBL15674510 0.71 MAP4K1 (0.45) NPC1TDP1S100A4
SCHEMBL29000618 0.71 KDM4E (0.40) KDM4ENPC1GABRG2GABRB3GABRA5
SCHEMBL10094472 0.71 PTPRC (0.42) KDM4ENPC1GABRG2GABRB3GABRA5
SCHEMBL30475211 0.70 CYP2A6 (0.44) PTPRCCTSLCTSSPTPN13TDP2

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-7763727-B2 Compound and organic electronic device using the same MITSUI CHEMICALS, INC. (JP) 2010-07-27 US disclosed
US-20070219375-A1 Novel Compound and Organic Electronic Device Using the Same MITSUI CHEMICALS, INC. (JP) 2007-09-20 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-20070219375-A1 Novel Compound and Organic Electronic Device Using the Same OR10J3, RPS10, NOX4 KDM4E 1735/4885NPC1 2708/4885GABRG2 3642/4885

“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.