SCHEMBL4806545

SCHEMBL4806545

CCOC(=O)C1(Cc2ccccc2)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ADAM17 P78536 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
GRM5 P41594 1/20 0.38
OPRK1 P41145 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4810961 0.94 TP53 (0.39) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4811142 0.92 OPRK1 (0.40) LMNAADAM17NPSR1SMN1; SMN2RAB9A
SCHEMBL4807371 0.92 KDM4E (0.46) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4812200 0.91 RAB9A (0.41) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4808130 0.90 LMNA (0.42) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4812190 0.89 ADAM17 (0.44) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4811204 0.89 KDM4E (0.46) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4813834 0.89 NPC1 (0.41) LMNANPSR1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL4814848 0.87 NPC1 (0.40) NPSR1SMN1; SMN2RAB9AL3MBTL1NPC1
SCHEMBL4808723 0.86 RAB9A (0.41) MEN1KMT2ALMNAALDH1A1NPSR1

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 MEN1 2837/4885KMT2A 4572/4885LMNA 2659/4885

“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.