SCHEMBL4804036

SCHEMBL4804036

CCCCC1(C(=O)OCC)CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.39
CYP3A4 P08684 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
AKT1 P31749 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
SCHEMBL4810386 0.97 SIRT2 (0.40) CYP2C19CYP3A4SIRT2ALDH1A1CYP2C9
SCHEMBL28043401 0.95 CYP3A4 (0.36) CYP2C19CYP3A4SIRT2ALDH1A1POLB
SCHEMBL6905227 0.95 SIRT2 (0.43) CYP2C19CYP3A4SIRT2AKT1
SCHEMBL4812034 0.95 SIRT2 (0.43) CYP2C19CYP3A4SIRT2AKT1
SCHEMBL6907567 0.91 CYP3A4 (0.39) CYP3A4SIRT2AKT1
SCHEMBL4811574 0.91 CYP2C19 (0.41) CYP2C19CYP3A4SIRT2ALDH1A1CYP2C9
SCHEMBL10477317 0.87 CYP1A2 (0.39) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL11855720 0.86 PRKCA (0.39) CYP2C19CYP3A4ALDH1A1TSHR
SCHEMBL27123245 0.85 CYP2C19 (0.39) CYP2C19CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL29168788 0.85 SIRT2 (0.40) CYP2C19CYP3A4SIRT2ALDH1A1CYP2C9

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 4 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
EP-0755912-B1 Process for the preparation of 2-substituted cyclopentanones BAYER AG (DE) 1999-09-08 EP 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 CYP2C19 75/4885CYP3A4 86/4885SIRT2 2394/4885

“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.