SCHEMBL4814289

SCHEMBL4814289

CCCCCC1(C(=O)OCC(C)C)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.40
TRPM8 Q7Z2W7 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
BCHE P06276 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL4810029 0.99 AKT1 (0.42) AKT1TRPM8CHRNB2CHRNA5CHRNA7
SCHEMBL4806167 0.97 AKT1 (0.37) AKT1TRPM8CHRNB2CHRNA5CHRNA7
SCHEMBL4812136 0.93 TRPM8 (0.38) TRPM8CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL4813337 0.91 AKT1 (0.42) AKT1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4809896 0.91 AKT1 (0.48) AKT1LMNA
SCHEMBL4813277 0.90 AKT1 (0.43) AKT1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4805188 0.90 AKT1 (0.50) AKT1LMNA
SCHEMBL4811480 0.89 AKT1 (0.40) AKT1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4813792 0.89 AKT1 (0.41) AKT1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4812893 0.89 TRPM8 (0.38) TRPM8CHRNB2CHRNA5CHRNA7CHRNA4

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 5 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
CN-100338018-C Cyclopentyl ester analog compound and its synthesis method and uses CHINA PETROLEUM & CHEMICAL (CN) 2007-09-19 CN 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
CN-1765871-A Cyclopentyl ester analog compound and its synthesis method and uses CHINA PETROLEUM & CHEMICAL (CN) 2006-05-03 CN 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 1995/4885TRPM8 4557/4885CHRNB2 1604/4885

“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.