SCHEMBL19207049

SCHEMBL19207049

CC1CCCCC(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC18A3 Q16572 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 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
SCHEMBL2493273 0.96 TRPA1 (0.44) TRPA1AKR1C3AKR1C1
SCHEMBL16830129 0.87 AKR1C3 (0.52) AKR1C3AKR1C1SLC18A3DRD2
SCHEMBL16830128 0.87 AKR1C3 (0.52) AKR1C3AKR1C1SLC18A3DRD2
SCHEMBL16830211 0.87 AKR1C3 (0.52) AKR1C3AKR1C1SLC18A3DRD2
SCHEMBL16830208 0.87 AKR1C3 (0.52) AKR1C3AKR1C1SLC18A3DRD2
SCHEMBL190852 0.87 AKR1C3 (0.52) AKR1C3AKR1C1SLC18A3DRD2
SCHEMBL780234 0.80 AKR1C3 (0.52) TRPA1AKR1C3AKR1C1SLC18A3
SCHEMBL42580 0.79 SLC18A3 (0.61) TRPA1SLC18A3
SCHEMBL19207133 0.79 ESR2 (0.53) TRPA1SLC18A3DRD2DRD1DRD4
Ammonia Solution, Strong SCHEMBL11526460 0.78 SLC18A3 (0.43) AKR1C3AKR1C1SLC18A3DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170237036-A1 ORGANIC-ELECTROLUMINESCENT-ELEMENT LIQUID COMPOSITION PACKAGING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 US disclosed
CN-106575710-A Organic-electroluminescent-element liquid composition packaging 住友化学株式会社 2017-04-19 CN disclosed
CN-104419416-B Liquid composition containing phosphorescent light-emitting materials 住友化学株式会社 2017-03-29 CN disclosed
CN-104419416-A Liquid composition having phosphorescence luminescent material SUMITOMO CHEMICAL CO 2015-03-18 CN 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-20170237036-A1 ORGANIC-ELECTROLUMINESCENT-ELEMENT LIQUID COMPOSITION PACKAGING PLEC, EXOSC10, EPM2A TRPA1 117/4885AKR1C3 4690/4885AKR1C1 4435/4885

“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.