SCHEMBL4808103

SCHEMBL4808103

CCOC(=O)C1(c2ccc(C)cc2)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
OPRM1 P35372 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
SLC22A1 O15245 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ELANE P08246 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4810643 0.94 SLC22A1 (0.43) NPSR1NPC1RAB9AOPRM1MAPT
SCHEMBL4815646 0.90 SMN1; SMN2 (0.41) NPSR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4815215 0.90 SLC22A1 (0.43) SMN1; SMN2NPC1RAB9AOPRM1MAPT
SCHEMBL4815386 0.90 ADRB2 (0.41) NPSR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4815535 0.89 OPRM1 (0.43) NPSR1SMN1; SMN2RAB9AOPRM1TP53
SCHEMBL4813759 0.86 SLC22A1 (0.46) NPSR1SMN1; SMN2OPRM1SLC22A1KMT2A
SCHEMBL4810099 0.84 ADRB2 (0.41) NPSR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4813933 0.84 NPC1 (0.41) NPSR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4810401 0.83 PTPN2 (0.44) NPSR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4809674 0.82 OPRM1 (0.44) OPRM1SLC22A1KMT2A

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 NPSR1 3438/4885SMN1; SMN2 4671/4885NPC1 1423/4885

“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.