SCHEMBL4808976

SCHEMBL4808976

CC(=O)OC1CCCC1(C)C(=O)OCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
RAB9A P51151 1/20 0.34
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
DHCR24 Q15392 1/20 0.31
HSD11B1 P28845 1/20 0.30
CYP19A1 P11511 2/20 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
SCHEMBL4811203 0.84 F10 (0.41) CYP3A4ALDH1A1
SCHEMBL4810091 0.83 RAB9A (0.34) TSHRRAB9ACYP3A4USP2ALDH1A1
SCHEMBL4813800 0.82 RAB9A (0.33) TSHRRAB9A
SCHEMBL4817340 0.82 RAB9A (0.33) TSHRRAB9AHSD11B1
SCHEMBL4812894 0.80 TRPM8 (0.40) TSHRRAB9AALDH1A1
SCHEMBL4811195 0.80 PAX8 (0.39) CYP3A4USP2MAPTHSD11B1
SCHEMBL4815356 0.80 RAB9A (0.32) TSHRRAB9ACYP3A4
SCHEMBL4812957 0.80 AKT1 (0.32) TSHRRAB9ACYP3A4USP2ALDH1A1
SCHEMBL4814404 0.80 AKT1 (0.36) TSHRRAB9A
SCHEMBL4816196 0.79 PTPN2 (0.42) TSHRRAB9AUSP2ALDH1A1MAPT

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 TSHR 4305/4885RAB9A 3676/4885CYP3A4 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.