SCHEMBL4811231

SCHEMBL4811231

Cc1cccc(C(=O)OC2CCCC2(C)C(=O)OCC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35

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
SCHEMBL4810401 0.89 PTPN2 (0.44) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4812894 0.88 TRPM8 (0.40) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4811627 0.88 ADRB2 (0.43) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4816196 0.87 PTPN2 (0.42) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4817038 0.87 ADRB2 (0.43) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4808108 0.87 ADRB2 (0.43) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4806457 0.86 SMN1; SMN2 (0.44) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4810965 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4816351 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4813141 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1

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 ADRB2 1572/4885ADRB1 1538/4885ADRB3 1177/4885

“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.