SCHEMBL4813286

SCHEMBL4813286

CCOC(=O)C1(CC(C)C)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 2/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37

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
SCHEMBL4814589 0.92 TRPM8 (0.39) TRPM8CHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL4809159 0.91 PTPN2 (0.40) PTPN2PTPN1CDC25BLMNASCN1A
SCHEMBL4810787 0.90 SCN1A (0.42) KCNH2TRPM8CHRNA7HTR3EHTR3B
SCHEMBL4804994 0.89 ADRB2 (0.40) SMN1; SMN2CHRNB2CHRNA4NPSR1KDM4E
SCHEMBL4810728 0.89 KCNH2 (0.39) KCNH2SMN1; SMN2TRPM8CHRNA7CHRNB2
SCHEMBL4811742 0.89 SMN1; SMN2 (0.42) KCNH2SMN1; SMN2CHRNA7CHRNB2CHRNA5
SCHEMBL4810445 0.87 ADRB2 (0.38) SMN1; SMN2CHRM2CHRM1OPRM1MEN1
SCHEMBL4808122 0.86 SMN1; SMN2 (0.41) KCNH2SMN1; SMN2CHRNA7CHRNB2CHRNA5
SCHEMBL4812765 0.85 TRPM8 (0.39) KCNH2TRPM8CHRNA7CHRNB2CHRNA5
SCHEMBL4807371 0.85 KDM4E (0.46) KCNH2SMN1; SMN2CHRNA7CHRNB2CHRNA5

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 9 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 claimed
JP-2008517957-A 2008-05-29 JP claimed
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 claimed
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 claimed
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
CN-100338018-C Cyclopentyl ester analog compound and its synthesis method and uses CHINA PETROLEUM & CHEMICAL (CN) 2007-09-19 CN 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
CN-1765871-A Cyclopentyl ester analog compound and its synthesis method and uses CHINA PETROLEUM & CHEMICAL (CN) 2006-05-03 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-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof C5, C1S, AKR1C3 KCNH2 876/4885SMN1; SMN2 4671/4885TRPM8 4557/4885

“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.