SCHEMBL482827

SCHEMBL482827

CCOC(=O)C(CCCCCCCCCCC(C(C)=O)C(=O)OCC)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CPB2 Q96IY4 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TSHR P16473 1/20 0.41
FAAH O00519 1/20 0.40
ZDHHC7 Q9NXF8 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
SCHEMBL486944 0.94 FAAH (0.47) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL873537 0.94 FAAH (0.47) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL4904972 0.94 FAAH (0.47) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL11358682 0.94 FAAH (0.47) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL6309982 0.94 FAAH (0.47) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL1393272 0.94 FAAH (0.47) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL1393537 0.94 FAAH (0.47) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL21004865 0.92 CYP4F2 (0.43) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL7640286 0.92 TDP1 (0.41) TDP1KMT2AMEN1CPB2L3MBTL1
SCHEMBL15927750 0.92 CYP4F2 (0.43) TDP1KMT2AMEN1CPB2L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412696-A1 PROCESS FOR PRODUCTION OF 3-METHYL-CYCLOPENTADECENONE, PROCESS FOR PRODUCTION OF R/S-MUSCONE, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE MUSCONE Doya, Masaharu (JP) 2012-02-01 EP disclosed
US-20110172465-A1 METHOD FOR PRODUCING 3-METHYL-CYCLOPENTADECENONES, METHOD FOR PRODUCING (R)- AND (S)- MUSCONE, AND METHOD FOR PRODUCING OPTICALLY ACTIVE MUSCONE DOYA MASAHARU 2011-07-14 US disclosed
EP-1156029-B1 Derivatives of acetoacetic acid, their process of preparation and their use BASF AG (DE) 2003-06-18 EP disclosed
US-6515154-B2 Acetoacetic acid derivatives, process for their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2003-02-04 US disclosed
US-20010056195-A1 Acetoacetic acid derivatives, process for their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2001-12-27 US disclosed
EP-1156029-A1 Derivatives of acetoacetic acid, their process of preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2001-11-21 EP 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-20010056195-A1 Acetoacetic acid derivatives, process for their preparation and their use ACMSD, MLYCD, HADHB TDP1 3428/4885KMT2A 3842/4885MEN1 997/4885

“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.