SCHEMBL4813792

SCHEMBL4813792

CCCCCCC1(C(=O)OCC(C)C)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4811480 0.99 AKT1 (0.40) AKT1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL4809776 0.96 ADRB2 (0.40) AKT1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL4810679 0.93 AKT1 (0.47) AKT1ADRB2ADRB1ADRB3RAB9A
SCHEMBL4813141 0.93 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1GAA
SCHEMBL4815205 0.92 AKT1 (0.46) AKT1ADRB2ADRB1ADRB3RAB9A
SCHEMBL4810029 0.90 AKT1 (0.42) AKT1
SCHEMBL4804307 0.90 AKT1 (0.40) AKT1ADRB2ADRB1ADRB3RAB9A
SCHEMBL4813277 0.89 AKT1 (0.43) AKT1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL4816351 0.89 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1GAA
SCHEMBL4812360 0.89 SMN1; SMN2 (0.39) AKT1ADRB2ADRB1ADRB3RAB9A

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.