SCHEMBL4813337

SCHEMBL4813337

CCCCCC1(C(=O)OCC(C)C)CCCC1OC(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.42
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4813277 0.99 AKT1 (0.43) AKT1ADRB2ADRB1ADRB3SCN1A
SCHEMBL4811141 0.97 AKT1 (0.38) AKT1ADRB2ADRB1ADRB3SCN1A
SCHEMBL4814193 0.93 ADRB2 (0.38) AKT1ADRB2ADRB1ADRB3SCN1A
SCHEMBL4817245 0.92 AKT1 (0.48) AKT1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL4814289 0.91 AKT1 (0.40) AKT1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL4815270 0.91 AKT1 (0.50) AKT1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL4810029 0.90 AKT1 (0.42) AKT1
SCHEMBL4812845 0.89 ADRB2 (0.38) ADRB2ADRB1ADRB3SCN1ASCN2A
SCHEMBL4809571 0.89 AKT1 (0.41) AKT1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL4810949 0.89 ADRB2 (0.39) ADRB2ADRB1ADRB3SCN1ASCN2A

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 AKT1 1995/4885ADRB2 1572/4885ADRB1 1538/4885

“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.