SCHEMBL4815535

SCHEMBL4815535

CCOC(=O)C1(c2ccc(C)cc2)CCCC1OC(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SLC22A1 O15245 1/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4815215 0.94 SLC22A1 (0.43) OPRM1SLC22A1SMN1; SMN2KMT2ARAB9A
SCHEMBL4813759 0.94 SLC22A1 (0.46) OPRM1SLC22A1SMN1; SMN2NPSR1KMT2A
SCHEMBL4808103 0.89 NPSR1 (0.39) OPRM1SLC22A1SMN1; SMN2NPSR1KMT2A
SCHEMBL4815711 0.89 TDP1 (0.44) SCN1ASCN2ASCN3AGAASMN1; SMN2
SCHEMBL4806749 0.89 ADRB2 (0.39) OPRM1PTPN2PTPN1CDC25BSCN1A
SCHEMBL4809674 0.88 OPRM1 (0.44) OPRM1SLC22A1KMT2ATDP1HTR2C
SCHEMBL4810288 0.85 SLC22A1 (0.40) OPRM1SLC22A1KMT2ARAB9ATDP1
SCHEMBL4810621 0.84 HTR2C (0.39) SCN1ASCN2ASCN3ASLC22A1KMT2A
SCHEMBL4810480 0.84 PLA2G1B (0.39) OPRM1SCN1ASCN2ASCN3ASLC22A1
SCHEMBL4808284 0.83 HTR2C (0.46) SCN1ASCN2ASCN3ASMN1; 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 OPRM1 2913/4885PTPN2 3885/4885PTPN1 3877/4885

“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.