SCHEMBL3360503

SCHEMBL3360503

Cc1ccccc1-c1cc(-c2ccccc2C)cc(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4C)cc(-c4ccccc4C)c3)cc2-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
HTR7 P34969 3/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2A6 P11509 1/20 0.43
CYP2B6 P20813 1/20 0.43
HTR1A P08908 1/20 0.41
BACE1 P56817 2/20 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
SCHEMBL21230086 0.88 HTR7 (0.47) ESR2ENPP3ENPP1HTR7NPC1
SCHEMBL3361069 0.88 HTR7 (0.43) ESR2HTR7NPC1ALDH1A1HPGD
SCHEMBL616 0.88 ESR2 (0.54) ESR2ENPP3ENPP1HTR7NPC1
SCHEMBL19897390 0.88 TSHR (0.50) ESR2HTR7NPC1ALDH1A1HPGD
SCHEMBL29706107 0.88 ESR2 (0.54) ESR2ENPP3ENPP1HTR7NPC1
SCHEMBL29109491 0.86 ESR2 (0.54) ESR2ENPP3ENPP1HTR7NPC1
Ammonia Solution, Strong SCHEMBL19032131 0.85 ESR2 (0.52) ESR2ENPP3ENPP1HTR7NPC1
Biphenyl SCHEMBL4603527 0.85 ESR2 (0.52) ESR2ENPP3ENPP1HTR7NPC1
Bromide SCHEMBL1925857 0.85 ESR2 (0.52) ESR2ENPP3ENPP1HTR7NPC1
Biphenyl SCHEMBL4733975 0.85 ESR2 (0.52) ESR2ENPP3ENPP1HTR7NPC1

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 ESR2 1678/4885ENPP3 126/4885ENPP1 73/4885

“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.