SCHEMBL4811833

SCHEMBL4811833

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 10/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CASP6 P55212 1/20 0.30
ACHE P22303 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4810091 0.87 RAB9A (0.34) ALDH1A1CYP3A4
SCHEMBL4814882 0.86 NPSR1 (0.33) CYP3A4
SCHEMBL27655543 0.80 F10 (0.36) ALDH1A1LMNASMN1; SMN2CASP6MEN1
SCHEMBL11294177 0.80 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2CASP6MEN1
SCHEMBL4813014 0.79 PTPN2 (0.41) ALDH1A1LMNAKMT2A
SCHEMBL4808456 0.79 KCNH2 (0.43) LMNASMN1; SMN2CYP3A4CYP2D6MEN1
SCHEMBL4812517 0.79 AKT1 (0.37) ALDH1A1LMNAHSD17B10AKT1
SCHEMBL24565371 0.79 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10AKT1SMN1; SMN2
SCHEMBL4811203 0.79 F10 (0.41) ALDH1A1LMNAHSD17B10AKT1ACHE
SCHEMBL4812872 0.78 LMNA (0.35) ALDH1A1LMNAHSD17B10AKT1SMN1; SMN2

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 ALDH1A1 71/4885LMNA 2659/4885HSD17B10 187/4885

“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.