SCHEMBL9976523

SCHEMBL9976523

Cc1ccc(C)c2nc(F)c(F)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
MAPT P10636 2/20 0.33
ACHE P22303 1/20 0.33
CCR1 P32246 1/20 0.33
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL13963490 0.75 MAPT (0.52) NOS3NOS1NOS2GAAMAPT
SCHEMBL19104649 0.72 CCR1 (0.37) CCR1CCR5LMNAKMT2ACYP1A2
SCHEMBL13181658 0.71 NQO2 (0.46) NOS3NOS1NOS2MAPTRAB9A
SCHEMBL19104651 0.69 KDM4E (0.52) MGAMGAASIMGAM2MAPT
SCHEMBL23284917 0.69 PIM1 (0.37) NOS3NOS1NOS2ACHECCR1
SCHEMBL10311278 0.69
SCHEMBL812440 0.69 NQO2 (0.56) GAAMAPTRAB9AKMT2AALDH1A1
SCHEMBL13313377 0.67 OPRK1 (0.54) OPRK1KMT2ATDP1
SCHEMBL15400900 0.65
SCHEMBL18267363 0.65 MAPT (0.43) NOS3NOS1NOS2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376529-B2 Fluoro monomers, oligomers, and polymers for inks and organic electronic devices SOLVAY USA INC. (US) 2016-06-28 US disclosed
US-9376529-B2 Fluoro monomers, oligomers, and polymers for inks and organic electronic devices SOLVAY USA INC. (US) 2016-06-28 US disclosed
US-20120152357-A1 FLUORO MONOMERS, OLIGOMERS, AND POLYMERS FOR INKS AND ORGANIC ELECTRONIC DEVICES PLEXTRONICS, INC. 2012-06-21 US disclosed
US-20120152357-A1 FLUORO MONOMERS, OLIGOMERS, AND POLYMERS FOR INKS AND ORGANIC ELECTRONIC DEVICES PLEXTRONICS, INC. 2012-06-21 US disclosed
WO-2012082893-A2 FLUORO MONOMERS, OLIGOMERS, AND POLYMERS FOR INKS AND ORGANIC ELECTRONIC DEVICES PLEXTRONICS, INC. (US) 2012-06-21 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-20120152357-A1 FLUORO MONOMERS, OLIGOMERS, AND POLYMERS FOR INKS AND ORGANIC ELECTRONIC DEVICES ILK, VCL, NECTIN4 NOS3 4124/4885NOS1 3880/4885NOS2 3722/4885

“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.