SCHEMBL4806741

SCHEMBL4806741

CCCC1(C(=O)OCC)CCCC1OC(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
AKT1 P31749 10/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
OPRM1 P35372 1/20 0.37
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4808554 0.93 AKT1 (0.45) PTPN2PTPN1CDC25BAKT1SCN1A
SCHEMBL4817245 0.92 AKT1 (0.48) PTPN2PTPN1CDC25BAKT1SCN1A
SCHEMBL4803641 0.92 TDP1 (0.41) PTPN2PTPN1CDC25BSCN1ASCN2A
SCHEMBL4815270 0.91 AKT1 (0.50) PTPN2PTPN1CDC25BAKT1SCN1A
SCHEMBL4814193 0.91 ADRB2 (0.38) PTPN2PTPN1CDC25BAKT1SCN1A
SCHEMBL4808122 0.91 SMN1; SMN2 (0.41) PTPN2PTPN1CDC25BAKT1
SCHEMBL4811180 0.91 PTPN2 (0.42) PTPN2PTPN1CDC25BSCN1ASCN2A
SCHEMBL4813285 0.89 PTPN2 (0.39) PTPN2PTPN1CDC25BAKT1SCN1A
SCHEMBL4811328 0.87 PTPN2 (0.42) PTPN2PTPN1CDC25BSCN1ASCN2A
SCHEMBL4814363 0.87 KMT2A (0.46) OPRM1RAB9AKMT2AALDH1A1

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 7 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 claimed
JP-2008517957-A 2008-05-29 JP claimed
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 claimed
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 claimed
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 PTPN2 3885/4885PTPN1 3877/4885CDC25B 1406/4885

“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.