SCHEMBL18350153

SCHEMBL18350153

Brc1ccc2c(c1)Cc1ccccc1C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
METAP1 P53582 1/20 0.44
TDP2 O95551 1/20 0.42
CYP2A6 P11509 1/20 0.42
HSD17B3 P37058 4/20 0.42
PNMT P11086 2/20 0.42
ASIC3 Q9UHC3 1/20 0.42
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41
CYP1A2 P05177 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
SCHEMBL11173730 0.93 TDP1 (0.52) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL4746292 0.92 METAP1 (0.48) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL22167168 0.90 ALDH1A1 (0.48) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL4621914 0.89 CYP2A6 (0.54) TRPA1SLC6A2HTR2AHTR2CSLC6A4
Fluorene SCHEMBL15453329 0.84 ALDH1A1 (0.59) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL415882 0.84 ALDH1A1 (0.59) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL29466104 0.84 ALDH1A1 (0.59) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL29780658 0.84 ALDH1A1 (0.59) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL10052972 0.83 TDP1 (0.51) TRPA1SLC6A2HTR2AHTR2CSLC6A4
Ammonia Solution, Strong SCHEMBL665105 0.82 ALDH1A1 (0.57) TRPA1SLC6A2HTR2AHTR2CSLC6A4

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-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-12-29 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-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 TRPA1 208/4885SLC6A2 3892/4885HTR2A 4705/4885

“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.