SCHEMBL4809779

SCHEMBL4809779

CCOC(=O)C1(C2CCCCC2)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KCNH2 Q12809 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
OPRM1 P35372 3/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 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
SCHEMBL4806177 0.99 SMN1; SMN2 (0.41) SMN1; SMN2KCNH2KDM4ELMNATDP1
SCHEMBL4813432 0.91 PTPN2 (0.40) SMN1; SMN2MAPTPTPN2PTPN1CDC25B
SCHEMBL4810710 0.90 PTPN2 (0.41) KDM4EMAPTPTPN2PTPN1CDC25B
SCHEMBL4804183 0.89 NPC1 (0.42) SMN1; SMN2LMNAKMT2ANPSR1L3MBTL1
SCHEMBL4804786 0.88 LMNA (0.41) LMNATDP1CYP1A2CYP2D6SCN1A
SCHEMBL4813857 0.88 NPC1 (0.40) SMN1; SMN2MAPTNPSR1L3MBTL1
SCHEMBL4813889 0.88 LMNA (0.41) LMNATDP1MAPTCYP1A2CYP2D6
SCHEMBL4815140 0.87 TSHR (0.41) LMNATDP1MAPTCYP1A2CYP2D6
SCHEMBL4809078 0.87 LMNA (0.39) LMNATDP1MAPTCYP1A2CYP2D6
SCHEMBL4809562 0.87 NPC1 (0.38) SMN1; SMN2KDM4ELMNATDP1MAPT

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 5 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-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 SMN1; SMN2 4671/4885KCNH2 876/4885KDM4E 2912/4885

“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.