SCHEMBL4812294

SCHEMBL4812294

CCOC(=O)C1(CC(C)C)CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 4/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.34
F10 P00742 1/20 0.32
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4805618 0.85 CYP2C19 (0.40) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL4812087 0.84 CYP2C19 (0.42) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL21244563 0.81 CYP2C19 (0.41) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL4811574 0.81 CYP2C19 (0.41) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL14635820 0.80 CYP2C19 (0.40) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL1918461 0.80 CYP2C19 (0.40) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL4029333 0.80 CYP2C19 (0.44) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL28510350 0.80 CYP2C19 (0.44) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL18932722 0.80 CYP2C19 (0.44) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL14880000 0.80 CYP2C19 (0.39) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR

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 disclosed
CN-100348571-C 2-alkoxyl cyclopentyl ester compound, its synthesis method and application CHINA PETROLEUM & CHEMICAL (CN) 2007-11-14 CN disclosed
CN-100338018-C Cyclopentyl ester analog compound and its synthesis method and uses CHINA PETROLEUM & CHEMICAL (CN) 2007-09-19 CN disclosed
CN-1789234-A 2-alkoxyl cyclopentyl ester compound, its synthesis method and application CHINA PETROLEUM & CHEMICAL (CN) 2006-06-21 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
CN-1247508-C Ether kind compound containing cyclopentyl and its synthesis method and application CHINA PETROCHEMICAL CORP (CN) 2006-03-29 CN disclosed
CN-1597650-A Ether kind compound containing cyclopentyl and its synthesis method and application CHINA PETROCHEMICAL CORP (CN) 2005-03-23 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 CYP2C19 75/4885CYP3A4 86/4885ALDH1A1 71/4885

“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.