SCHEMBL4808702

SCHEMBL4808702

CCOC(=O)C1(c2ccccc2)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.46
OPRM1 P35372 6/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4810288 0.94 SLC22A1 (0.40) SLC22A1OPRM1OPRD1OPRK1
SCHEMBL4814183 0.90 HTR2C (0.39)
SCHEMBL4817323 0.89 ALDH1A1 (0.40) SLC22A1OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL4813929 0.85 SLC22A1 (0.50) SLC22A1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL4813759 0.84 SLC22A1 (0.46) SLC22A1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL4809391 0.83 TSHR (0.39) SMN1; SMN2
SCHEMBL4812586 0.83 HTR2C (0.42)
SCHEMBL4804118 0.83 PTPN2 (0.41) OPRM1SMN1; SMN2
SCHEMBL4807297 0.83 TSHR (0.40) SLC22A1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL4815215 0.82 SLC22A1 (0.43) SLC22A1OPRM1OPRD1OPRK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388103-B2 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 US disclosed
WO-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 WO 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-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof C5, C1S, AKR1C3 SLC22A1 3001/4885OPRM1 2913/4885OPRD1 1125/4885

“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.