SCHEMBL4811526

SCHEMBL4811526

CCOC(=O)C1(C(C)C)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36

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
SCHEMBL4811627 0.92 ADRB2 (0.43) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4806581 0.91 ADRB2 (0.44) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4808456 0.89 KCNH2 (0.43) SMN1; SMN2NPSR1SLC6A4
SCHEMBL4813014 0.86 PTPN2 (0.41) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4810401 0.84 PTPN2 (0.44) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4804994 0.84 ADRB2 (0.40) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4813857 0.84 NPC1 (0.40) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4813834 0.83 NPC1 (0.41) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4804183 0.83 NPC1 (0.42) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4813082 0.83 ADRB2 (0.39) ADRB2ADRB1ADRB3RAB9ANPC1

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 ADRB2 1572/4885ADRB1 1538/4885ADRB3 1177/4885

“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.