SCHEMBL4813834

SCHEMBL4813834

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
GRM5 P41594 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
LMNA P02545 1/20 0.36
ELANE P08246 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 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
SCHEMBL4815578 0.92 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2NPSR1ADRB2
SCHEMBL4817038 0.92 ADRB2 (0.43) NPC1RAB9ASMN1; SMN2NPSR1ADRB2
SCHEMBL4814848 0.91 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NPSR1ADRB2
SCHEMBL4804994 0.89 ADRB2 (0.40) NPC1RAB9ASMN1; SMN2NPSR1ADRB2
SCHEMBL4807096 0.89 AKT1 (0.42) NPC1RAB9ASMN1; SMN2NPSR1ADRB2
SCHEMBL4806545 0.89 MEN1 (0.42) NPC1RAB9ASMN1; SMN2NPSR1L3MBTL1
SCHEMBL4815205 0.89 AKT1 (0.46) NPC1RAB9ASMN1; SMN2NPSR1ADRB2
SCHEMBL4810961 0.89 TP53 (0.39) NPC1RAB9ASMN1; SMN2NPSR1ADRB2
SCHEMBL4811742 0.89 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1LMNAPTPN2PTPN1
SCHEMBL4813082 0.88 ADRB2 (0.39) NPC1RAB9ASMN1; SMN2NPSR1ADRB2

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 NPC1 1423/4885RAB9A 3676/4885SMN1; SMN2 4671/4885

“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.