SCHEMBL4808679

SCHEMBL4808679

CC(=O)OC1CCCC1(C(=O)OCC(C)C)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
OPRM1 P35372 1/20 0.34
MAPT P10636 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.31
ADORA2B P29275 4/20 0.31
ADORA1 P30542 1/20 0.31
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX12 P18054 1/20 0.31
TSHR P16473 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
SCHEMBL4812898 0.90 SLC22A1 (0.38) HTR2COPRM1SLC6A2ALDH1A1TSHR
SCHEMBL4806749 0.89 ADRB2 (0.39) HTR2COPRM1MAPTALDH1A1ADORA2B
SCHEMBL4809674 0.88 OPRM1 (0.44) HTR2COPRM1MEN1KMT2A
SCHEMBL4810621 0.86 HTR2C (0.39) HTR2CMAPTALDH1A1KMT2ATSHR
SCHEMBL4809391 0.84 TSHR (0.39) HTR2CMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4814920 0.84 HTR2C (0.42) HTR2COPRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL4810480 0.84 PLA2G1B (0.39) HTR2COPRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL4815386 0.84 ADRB2 (0.41) HTR2CMAPTSLC6A2SLC6A3ALDH1A1
SCHEMBL28759760 0.82 ADAM17 (0.39) HTR2COPRM1ALDH1A1TSHR
SCHEMBL4812897 0.81 HCRTR2 (0.33) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

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 HTR2C 3278/4885OPRM1 2913/4885MAPT 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.