SCHEMBL13056243

SCHEMBL13056243

FC(F)(F)c1cc(C(F)(F)F)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.53
▸ CFTR P13569 1/20 0.50
▸ ERN1 O75460 1/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ CYP11B1 P15538 4/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ PDK2 Q15119 3/20 0.43
▸ CYP19A1 P11511 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL12999250 0.91 S1PR1 (0.46) S1PR1CFTRERN1NPY5RPDE3B
SCHEMBL13057058 0.90 NPY5R (0.54) S1PR1CFTRERN1NPY5RPDE3B
SCHEMBL13056286 0.86 CFTR (0.49) S1PR1CFTRERN1NPY5RPDK2
SCHEMBL13056241 0.85 KIF11 (0.40) S1PR1CYP11B2ALDH1A1S1PR3
SCHEMBL12999259 0.82 CFTR (0.46) S1PR1CFTRERN1NPY5RCYP11B1
SCHEMBL28838156 0.81 CYP11B1 (0.57) S1PR1CFTRERN1NPY5RPDE3B
SCHEMBL29891239 0.81 CYP11B1 (0.57) S1PR1CFTRERN1NPY5RPDE3B
SCHEMBL12999261 0.79 NPY5R (0.45) S1PR1CFTRERN1NPY5RCYP11B1
SCHEMBL13057060 0.77 HSD11B1 (0.45) ALDH1A1CYP1A2CYP3A4
SCHEMBL12692422 0.77 NPY5R (0.64) S1PR1CFTRERN1NPY5RPDE3B

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 S1PR1 2542/4885CFTR 4883/4885ERN1 846/4885

“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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