SCHEMBL4803249

SCHEMBL4803249

CCOC(=O)C1(CC)CCCC1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.39
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
F10 P00742 2/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4810499 0.88 AKT1 (0.45) AKT1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL4811979 0.88 NPSR1 (0.33) CYP3A4
SCHEMBL4817340 0.87 RAB9A (0.33) AKT1
SCHEMBL4812517 0.86 AKT1 (0.37) AKT1ALDH1A1LMNAHSD17B10
SCHEMBL4823840 0.86 AKT1 (0.51) AKT1ALDH1A1LMNAHSD17B10ACHE
SCHEMBL4806422 0.85 AKT1 (0.55) AKT1
SCHEMBL4805845 0.84 AKT1 (0.57) AKT1
SCHEMBL4805220 0.84 AKT1 (0.40) AKT1ACHE
SCHEMBL6060835 0.83 CYP3A4 (0.33) ACHECYP3A4
SCHEMBL4809649 0.81 POLB (0.41) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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 AKT1 1995/4885ALDH1A1 71/4885LMNA 2659/4885

“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.