SCHEMBL3194486

SCHEMBL3194486

O=COc1c(OC(F)(F)F)cc(OC(F)(F)F)cc1OC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
GPR3 P46089 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
EPHX2 P34913 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
APP P05067 1/20 0.30
CES1 P23141 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
SCHEMBL2093876 0.79 GPR3 (0.35) PIM1PIM2GPR3CHRM2CHRM1
SCHEMBL3184140 0.76 ERN1 (0.35) PIM1PIM2GPR3CHRM2CHRM1
SCHEMBL3194482 0.74 GPR3 (0.32) GPR3EPHX2PTGS1PTGS2CES1
SCHEMBL5547653 0.73 GPR84 (0.32) CHRM2CHRM1CHRM3APP
SCHEMBL3184745 0.73 GPR3 (0.36) PIM1GPR3EPHX2PTGS1PTGS2
SCHEMBL3184144 0.73 GPR3 (0.36) GPR3EPHX2PTGS1PTGS2APP
SCHEMBL24445831 0.72 AURKA (0.40) PIM1PIM2GPR3CHRM2CHRM1
SCHEMBL24445818 0.72 WDR5 (0.43) PIM1GPR3EPHX2APPCES1
SCHEMBL514131 0.71 EPHX2 (0.47) PIM1PIM2GPR3EPHX2
SCHEMBL2091935 0.69 CHRM2 (0.47) PIM1PIM2GPR3CHRM2CHRM1

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 PIM1 3473/4885PIM2 3927/4885GPR3 3966/4885

“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.