SCHEMBL4449917

SCHEMBL4449917

FC(F)(F)c1ccccc1-c1cc2ccc3cccc4ccc(c1-c1ccccc1C(F)(F)F)c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.44
CYP1A2 P05177 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
TRPA1 O75762 8/20 0.38
TRPM8 Q7Z2W7 3/20 0.38
TRPV1 Q8NER1 3/20 0.38
HSD11B1 P28845 4/20 0.38
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14241405 0.86 CYP1A2 (0.47) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL28938970 0.83 TRPA1 (0.43) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL28255296 0.77 CYP1A2 (0.47) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL27499366 0.76 CYP1A2 (0.55) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL29177811 0.74 HSD11B1 (0.47) CYP1A2TRPA1HSD11B1ALDH1A1TP53
SCHEMBL29268785 0.73 HPRT1 (0.52) CYP1A2TRPA1HSD11B1ALDH1A1TSHR
SCHEMBL27717677 0.71 ALDH1A1 (0.48) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL14241037 0.71 ALDH1A1 (0.46) CYP1A2TRPA1TRPM8TRPV1HSD11B1
SCHEMBL30332765 0.70 HSD11B1 (0.45) CYP1A2HSD11B1ALDH1A1TP53HPGD
SCHEMBL28916632 0.69 CYP1A2 (0.49) ERBB2CYP1A2FYNMAOAACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP ERBB2 3775/4885CYP1A2 49/4885FYN 2913/4885

“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.