SCHEMBL13057058

SCHEMBL13057058

FC(F)(F)c1cc(C(F)(F)F)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.54
▸ CFTR P13569 1/20 0.49
▸ SCN9A Q15858 2/20 0.47
▸ S1PR1 P21453 1/20 0.46
▸ PDK2 Q15119 3/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ CYP11B1 P15538 3/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ USP1 O94782 1/20 0.42
▸ WDR48 Q8TAF3 1/20 0.42

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
SCHEMBL13056243 0.90 S1PR1 (0.53) NPY5RCFTRS1PR1PDK2ERN1
SCHEMBL12999261 0.88 NPY5R (0.45) NPY5RCFTRSCN9AS1PR1ERN1
SCHEMBL13056286 0.87 CFTR (0.49) NPY5RCFTRS1PR1PDK2ERN1
SCHEMBL12692422 0.86 NPY5R (0.64) NPY5RCFTRSCN9AS1PR1PDK2
SCHEMBL13056288 0.85 NPY5R (0.51) NPY5RCFTRSCN9AS1PR1PDK2
SCHEMBL12999259 0.83 CFTR (0.46) NPY5RCFTRS1PR1PDK2ERN1
SCHEMBL13057060 0.82 HSD11B1 (0.45) SCN9ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12999257 0.81 NPY5R (0.48) NPY5RCFTRSCN9APDK2ERN1
SCHEMBL12999250 0.81 S1PR1 (0.46) NPY5RCFTRS1PR1PDK2ERN1
SCHEMBL28838156 0.80 CYP11B1 (0.57) NPY5RCFTRS1PR1PDK2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100308313-A1 Organic Material Containing Oligophenylene Skeleton and Light-Emitting Device Using the Same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY 2010-12-09 — — US disclosed
EP-2236485-A1 ORGANIC MATERIAL CONTAINING OLIGOPHENYLENE SKELETON AND LIGHT-EMITTING DEVICE USING THE SAME National University Corporation Nagoya University (JP) 2010-10-06 — — 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-20100308313-A1 Organic Material Containing Oligophenylene Skeleton and Light-Emitting Device Using the Same BMP2, SOST, BMP4 NPY5R 3234/4885CFTR 4883/4885SCN9A 2897/4885

“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.

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