SCHEMBL4814882

SCHEMBL4814882

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
DHCR24 Q15392 1/20 0.31
PAX8 Q06710 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL4811833 0.86 ALDH1A1 (0.33) CYP3A4
SCHEMBL4810091 0.85 RAB9A (0.34) CYP3A4MAPT
SCHEMBL4811857 0.78 TRPM8 (0.43) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL4811738 0.77 TDP1 (0.43) MAPT
SCHEMBL4812917 0.75 ADRB2 (0.42) MAPT
SCHEMBL4811195 0.75 PAX8 (0.39) NPSR1CYP3A4MAPTPAX8CHRM2
SCHEMBL4812901 0.74 MAPT (0.35) NPSR1CYP3A4MAPTPAX8
SCHEMBL4808224 0.74 KDM4E (0.30) NPSR1CYP3A4MAPT
SCHEMBL9583356 0.73 NPSR1 (0.34) NPSR1CYP3A4MAPTPAX8
SCHEMBL4806581 0.73 ADRB2 (0.44) NPSR1MAPT

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

“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.