SCHEMBL3184776

SCHEMBL3184776

[CH2]c1c(OC(F)(F)F)cc(OC(F)(F)F)cc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.36
KIF11 P52732 1/20 0.32
EPHX2 P34913 2/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CES1 P23141 1/20 0.31
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL6024048 0.85 ALDH1A1 (0.40) PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4176039 0.85 PTGS1 (0.43) GPR3PTGS1PTGS2SCN5A
SCHEMBL6023820 0.81 EPHX2 (0.38) GPR3EPHX2
SCHEMBL6022980 0.79 ACHE (0.34) GPR3EPHX2SCN9A
SCHEMBL6023114 0.79 PGK1 (0.33) EPHX2
SCHEMBL6023500 0.79 KDM4E (0.36) EPHX2MAPT
SCHEMBL3184782 0.76 GPR3 (0.38) GPR3KIF11EPHX2MAPTPTGS1
SCHEMBL3182236 0.76 GPR3 (0.36) GPR3KIF11EPHX2MAPTPTGS1
SCHEMBL3184144 0.76 GPR3 (0.36) GPR3KIF11EPHX2MAPTPTGS1
SCHEMBL3184148 0.76 NPC1 (0.37) GPR3KIF11EPHX2MAPTPTGS1

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-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 GPR3 3966/4885KIF11 2294/4885EPHX2 2872/4885

“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.