SCHEMBL4810679

SCHEMBL4810679

CCCCCCC1(C(=O)OCC)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.47
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4815205 0.99 AKT1 (0.46) AKT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4807096 0.96 AKT1 (0.42) AKT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4804307 0.93 AKT1 (0.40) AKT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4813792 0.93 AKT1 (0.41) AKT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4812360 0.92 SMN1; SMN2 (0.39) AKT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4814848 0.92 NPC1 (0.40) AKT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4811480 0.92 AKT1 (0.40) AKT1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4805188 0.90 AKT1 (0.50) AKT1SMN1; SMN2
SCHEMBL4810061 0.89 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2NPSR1HPGD
SCHEMBL4809896 0.89 AKT1 (0.48) AKT1SMN1; 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 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 1995/4885NPC1 1423/4885RAB9A 3676/4885

“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.