SCHEMBL14822756

SCHEMBL14822756

Fc1ccc(C(F)(F)F)c(Cn2cccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
P2RX7 Q99572 1/20 0.43
SCD5 Q86SK9 1/20 0.41
NTRK1 P04629 2/20 0.41
BRD4 O60885 1/20 0.39
CHRM5 P08912 1/20 0.38
DHFR P00374 1/20 0.38
HTT P42858 2/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KAT7 O95251 3/20 0.36
KAT6A Q92794 3/20 0.36
KAT6B Q8WYB5 2/20 0.36
KAT5 Q92993 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL28042308 0.81 KDM4E (0.46) P2RX7BRD4HTTGAAMAPT
SCHEMBL14822759 0.81 RIPK1 (0.44) CYP3A4BRD4HTTGAAMAPT
SCHEMBL14822757 0.78 CYP3A4 (0.48) CYP3A4BRD4HTTGAAMAPT
SCHEMBL28839857 0.77 HTT (0.46) CYP3A4HTTGAAMAPTKAT7
SCHEMBL5299707 0.76 BRD4 (0.43) CYP3A4BRD4HTTGAAMAPT
SCHEMBL3806937 0.76 SMN1; SMN2 (0.48) P2RX7BRD4HTTGAAMAPT
SCHEMBL3440024 0.75 L3MBTL1 (0.54) P2RX7SCD5NTRK1CHRM5IDO1
SCHEMBL21523604 0.74 MAPT (0.55) P2RX7SCD5NTRK1CHRM5MAPT
SCHEMBL3693605 0.72 P2RX7 (0.38) P2RX7SCD5NTRK1CHRM5DHFR
SCHEMBL28845079 0.72 CA12 (0.49) HTTGAAMAPTKAT7KAT6A

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-8410269-B2 Phosphorescent iridium complex with non-conjugated cyclometalated ligands, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-04-02 US disclosed
US-20110313162-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-22 US disclosed
US-20110313161-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-22 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 (2 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-20110313161-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF LIG3, LIG4, LIG1 CYP3A4 4333/4885P2RX7 3109/4885SCD5 2403/4885
US-20110313162-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF LIG3, LIG4, LIG1 CYP3A4 4333/4885P2RX7 3109/4885SCD5 2403/4885

“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.