SCHEMBL13056286

SCHEMBL13056286

Cc1ccccc1-c1cc(-c2cc(-c3cccnc3)c(C(F)(F)F)cc2C(F)(F)F)c(-c2ccccc2C)cc1-c1cc(-c2cccnc2)c(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.49
▸ GPBAR1 Q8TDU6 9/20 0.46
▸ NPY5R Q15761 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ S1PR1 P21453 2/20 0.44
▸ PDK2 Q15119 2/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL12999259 0.95 CFTR (0.46) CFTRGPBAR1NPY5RKDM4ENPC1
SCHEMBL12999261 0.92 NPY5R (0.45) CFTRGPBAR1NPY5RKDM4ENPC1
SCHEMBL13057058 0.87 NPY5R (0.54) CFTRGPBAR1NPY5RS1PR1PDK2
SCHEMBL13056243 0.86 S1PR1 (0.53) CFTRNPY5RKDM4ENPC1RAB9A
SCHEMBL12999257 0.86 NPY5R (0.48) CFTRGPBAR1NPY5RKDM4ENPC1
SCHEMBL12999250 0.86 S1PR1 (0.46) CFTRNPY5RKDM4EHPGDS1PR1
SCHEMBL13057730 0.84 AR (0.47) GPBAR1KDM4ENPC1HPGDTSHR
SCHEMBL13056288 0.81 NPY5R (0.51) CFTRGPBAR1NPY5RS1PR1PDK2
SCHEMBL12999238 0.80 NPY5R (0.46) CFTRGPBAR1NPY5RKDM4ENPC1
SCHEMBL12999254 0.80 NPC1 (0.51) NPY5RKDM4ENPC1HPGDTSHR

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 CFTR 4883/4885GPBAR1 4155/4885NPY5R 3234/4885

“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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