SCHEMBL4075799

SCHEMBL4075799

O=C(C[n+]1ccccc1)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
KDM4E B2RXH2 2/20 0.44
PABPC1 P11940 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
ACKR3 P25106 2/20 0.41
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 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
Bromide SCHEMBL4071796 0.98 CES2 (0.49) CES2CES1KDM4EPABPC1ALDH1A1
SCHEMBL8387911 0.79 ALDH1A1 (0.51) CES2CES1ALDH1A1HTR2AHTR2C
Bromide SCHEMBL3850580 0.78 ALDH1A1 (0.54) CES2CES1KDM4EALDH1A1HTR2A
Bromide SCHEMBL3883793 0.77 KMT2A (0.50) CES2CES1KDM4EALDH1A1HTR2A
SCHEMBL16810262 0.76 KDM4E (0.67) KDM4EPABPC1ALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL10416961 0.75 KDM4E (0.65) KDM4EPABPC1ALDH1A1MEN1GAA
SCHEMBL4707612 0.74 CES2 (0.59) CES2CES1KDM4EALDH1A1HTR2A
SCHEMBL1515773 0.73 CES2 (0.53) CES2CES1KDM4EALDH1A1HTR2A
Hydrochloric Acid SCHEMBL10705383 0.73 KDM4E (0.63) KDM4EPABPC1ALDH1A1MEN1GAA
SCHEMBL8584 0.73 CES2 (0.63) CES2CES1HTR2AHTR2CKCNH2

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
EP-2084171-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO KK (JP) 2013-04-10 EP disclosed
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2009-12-24 US disclosed
EP-2084171-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE Showa Denko K.K. (JP) 2009-08-05 EP disclosed
WO-2008056799-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2008-05-15 WO 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-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE ELP1, RUVBL1, LIG1 CES2 2837/4885CES1 3131/4885KDM4E 2658/4885

“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.