SCHEMBL4812898

SCHEMBL4812898

CC(=O)OC1CCCC1(C(=O)OCC(C)C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
HTR2C P28335 1/20 0.34
KCNA3 P22001 1/20 0.34

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
SCHEMBL4808679 0.90 HTR2C (0.36) ALDH1A1TSHROPRM1SLC6A2HTR2C
SCHEMBL4812372 0.89 CHRNA7 (0.40) SLC22A1ALDH1A1TSHRCHRM3CACNA1F
SCHEMBL4813929 0.87 SLC22A1 (0.50) SLC22A1OPRM1OPRD1OPRK1
SCHEMBL4810480 0.85 PLA2G1B (0.39) SLC22A1ALDH1A1TSHROPRM1OPRD1
SCHEMBL4817323 0.85 ALDH1A1 (0.40) SLC22A1ALDH1A1TSHROPRM1OPRD1
SCHEMBL27655541 0.84 OPRM1 (0.42) SLC22A1ALDH1A1TSHRAPOBEC3AAPOBEC3G
SCHEMBL4813860 0.84 MEN1 (0.42) HTR2C
SCHEMBL4810621 0.83 HTR2C (0.39) SLC22A1ALDH1A1TSHRCHRM3CACNA1F
SCHEMBL4810099 0.82 ADRB2 (0.41) SLC22A1ALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL4811693 0.81 KDM4E (0.37) ALDH1A1TSHR

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 3001/4885ALDH1A1 71/4885TSHR 4305/4885

“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.