SCHEMBL20175730

SCHEMBL20175730

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1ccccc1C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
ADORA1 P30542 1/20 0.51
CYP1A2 P05177 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 5/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SRD5A2 P31213 1/20 0.41
TDP2 O95551 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AVPR2 P30518 1/20 0.40

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
Fluorene SCHEMBL27883247 0.83 ALDH1A1 (0.53) ALDH1A1TDP1CYP1A2HSD17B10MAPT
SCHEMBL15066645 0.81 ALDH1A1 (0.58) ALDH1A1TDP1ADORA1CYP1A2HSD17B10
SCHEMBL17420850 0.80 ALDH1A1 (0.66) ALDH1A1TDP1ADORA1CYP1A2HSD17B10
SCHEMBL16201577 0.79 TDP2 (0.39) ALDH1A1ADORA1CYP1A2HSD17B10MAPT
SCHEMBL30548391 0.78 HSP90AA1 (0.50) ALDH1A1TDP1ADORA1CYP1A2HSD17B10
SCHEMBL29253978 0.78 HSP90AA1 (0.50) ALDH1A1TDP1ADORA1CYP1A2HSD17B10
SCHEMBL6674292 0.78 HSP90AA1 (0.50) ALDH1A1TDP1ADORA1CYP1A2HSD17B10
SCHEMBL23581451 0.77 ALDH1A1 (0.57) ALDH1A1CYP1A2HSD17B10MAPTRAB9A
SCHEMBL7618863 0.77 MAPT (0.58) ALDH1A1CYP1A2HSD17B10MAPTRAB9A
SCHEMBL15055251 0.76 ALDH1A1 (0.66) ALDH1A1TDP1ADORA1CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-24 US 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-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 ALDH1A1 486/4885TDP1 1648/4885ADORA1 3717/4885

“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.