SCHEMBL5530960

SCHEMBL5530960

CCC1(OC(=O)C2CC=CCC2C(=O)OC2(CC)CCCCC2)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5530957 0.94 POLB (0.38) MEN1KMT2AALDH1A1
SCHEMBL5524059 0.87 MEN1 (0.32) MEN1CYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL5519055 0.84 POLB (0.35) MEN1CYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL2380585 0.83 CYP3A4 (0.36) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5515717 0.83 GAA (0.35) MEN1CYP1A2CYP3A4CYP2C9ALOX12
SCHEMBL5524057 0.82 POLB (0.40) MEN1KMT2AALDH1A1
SCHEMBL13265130 0.80 MIF (0.36) MEN1KMT2AALDH1A1
SCHEMBL5519049 0.80 POLB (0.44) MEN1KMT2AALDH1A1
SCHEMBL13649847 0.78 MIF (0.36) MEN1KMT2AALDH1A1
SCHEMBL5515711 0.78 ALDH1A1 (0.35) MEN1KMT2AGAAALDH1A1

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-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 MEN1 4282/4885CYP1A2 677/4885CYP3A4 575/4885

“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.