SCHEMBL9976522

SCHEMBL9976522

Cc1c(F)c(F)c(C)c2nccnc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
CCNB2 O95067 3/20 0.32
CDK1 P06493 3/20 0.32
CCNB1 P14635 3/20 0.32
GSK3A P49840 3/20 0.32
GSK3B P49841 3/20 0.32
CDK5 Q00535 3/20 0.32
CDK5R1 Q15078 3/20 0.32
CCNB3 Q8WWL7 3/20 0.32

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
SCHEMBL10293912 0.81 HSP90AA1 (0.46) NPC1HSP90AA1L3MBTL1CCR1CCR5
SCHEMBL21297747 0.78 HSP90AA1 (0.43) NPC1HSP90AA1L3MBTL1CCR1CCR5
SCHEMBL11790193 0.78 HSP90AA1 (0.43) NPC1HSP90AA1L3MBTL1CCR1CCR5
SCHEMBL30829747 0.74 HTT (0.37) NPC1HSP90AA1L3MBTL1
SCHEMBL28892659 0.74 HTT (0.37) NPC1HSP90AA1L3MBTL1
SCHEMBL30829720 0.74 NPC1 (0.33) NPC1HSP90AA1L3MBTL1CCR1CCR5
SCHEMBL28892165 0.74 NPC1 (0.33) NPC1HSP90AA1L3MBTL1CCR1CCR5
SCHEMBL19104618 0.72 CCR1 (0.33) NPC1HSP90AA1L3MBTL1CCR1CCR5
SCHEMBL14380265 0.72
SCHEMBL27713680 0.71 KDM4E (0.30) HSP90AA1L3MBTL1CCR1CCR5CCR8

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 6 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-20140338750-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT Konica Minolta, Inc. (JP) 2014-11-20 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 NPC1 2378/4885HSP90AA1 4110/4885L3MBTL1 2158/4885

“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.