SCHEMBL4812901

SCHEMBL4812901

COC(=O)C1(C2CCCC2)CCCC1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32
PAX8 Q06710 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
SCHEMBL4813996 0.98 MAPT (0.37) MAPTNPSR1CYP3A4PAX8
SCHEMBL4812872 0.85 LMNA (0.35) MAPTNPSR1CYP3A4
SCHEMBL4811105 0.84 LMNA (0.36) MAPTNPSR1CYP3A4
SCHEMBL4815356 0.82 RAB9A (0.32) CYP3A4
SCHEMBL4809668 0.81 CYP3A4 (0.32) NPSR1CYP3A4
SCHEMBL4815140 0.78 TSHR (0.41) MAPT
SCHEMBL4811538 0.77 TDP1 (0.43) MAPTNPSR1
SCHEMBL4804786 0.77 LMNA (0.41) CYP3A4
SCHEMBL4814301 0.76 TDP1 (0.42) MAPTNPSR1
SCHEMBL4811528 0.75 NPC1 (0.41) MAPTNPSR1CYP3A4

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 MAPT 4766/4885NPSR1 3438/4885CYP3A4 86/4885

“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.