SCHEMBL4804183

SCHEMBL4804183

CCOC(=O)C1(C2CCCCC2)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ELANE P08246 2/20 0.38
MAPK1 P28482 1/20 0.38
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 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
SCHEMBL4813857 0.99 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4805758 0.90 NPC1 (0.45) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4812914 0.90 ADRB2 (0.41) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4806450 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4809779 0.89 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1L3MBTL1LMNAKMT2A
SCHEMBL4810965 0.89 ADRB2 (0.41) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4806177 0.88 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL4813432 0.87 PTPN2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4810710 0.86 PTPN2 (0.41) NPC1RAB9AALDH1A1MAPK1POLB
SCHEMBL4811526 0.83 ADRB2 (0.42) NPC1RAB9ASMN1; SMN2NPSR1L3MBTL1

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.