SCHEMBL3173848

SCHEMBL3173848

FC(F)(F)Oc1cc([N]c2cc(OC(F)(F)F)cc(OC(F)(F)F)c2)cc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 5/20 0.38
▸ MPI P34949 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SCN4A P35499 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34

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
SCHEMBL2091140 0.81 NOS3 (0.38) GPR3MPINOS3NOS1NOS2
SCHEMBL12175256 0.81 GPR3 (0.35) GPR3MPINOS3NOS1NOS2
SCHEMBL2091561 0.76 GPR3 (0.41) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL3173854 0.75 HDAC3 (0.41) GPR3NPC1RAB9AKIF11MAPT
SCHEMBL3194547 0.75 NOS3 (0.47) GPR3NPC1RAB9ATP53CYP3A4
SCHEMBL2090133 0.72 GPR3 (0.39) GPR3SMN1; SMN2KIF11MAPTEPHX2
SCHEMBL12160006 0.72 PGR (0.39) GPR3GAAKIF11MAPTEPHX2
SCHEMBL816836 0.72 AURKA (0.44) GPR3RAB9AKIF11MAPTEPHX2
SCHEMBL2088212 0.72 GPR3 (0.39) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL2091562 0.72 GPR3 (0.39) GPR3NPC1RAB9AGMNNUSP2

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 3966/4885MPI 1877/4885NPC1 4609/4885

“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.

Send feedback