SCHEMBL4812437

SCHEMBL4812437

CCCCCCC1(C(=O)OC)CCCC1OC(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4809571 0.99 AKT1 (0.41) AKT1L3MBTL1ALDH1A1HTTSCN1A
SCHEMBL4815464 0.96 ALDH1A1 (0.40) AKT1L3MBTL1ALDH1A1HTTSCN1A
SCHEMBL4815270 0.93 AKT1 (0.50) AKT1L3MBTL1ALDH1A1HTTSCN1A
SCHEMBL4817245 0.91 AKT1 (0.48) AKT1ALDH1A1HTTSCN1ASCN2A
SCHEMBL4803641 0.91 TDP1 (0.41) ALDH1A1HTTSCN1ASCN2ASCN3A
SCHEMBL4815273 0.90 AKT1 (0.41) AKT1ALDH1A1HTT
SCHEMBL4812333 0.89 BCHE (0.40) AKT1ALDH1A1HTT
SCHEMBL4813277 0.89 AKT1 (0.43) AKT1L3MBTL1ALDH1A1HTTSCN1A
SCHEMBL4808554 0.88 AKT1 (0.45) AKT1ALDH1A1HTTSCN1ASCN2A
SCHEMBL4804307 0.88 AKT1 (0.40) AKT1

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 1995/4885L3MBTL1 3599/4885ALDH1A1 71/4885

“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.