SCHEMBL5513562

SCHEMBL5513562

CC(C)CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC18A2 Q05940 1/20 0.36
PPARG P37231 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL5523360 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL1297249 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5523910 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5512096 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5525257 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5519589 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5519996 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5514552 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL1297245 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5521817 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2

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 4 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-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 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 TP53 3031/4885CYP3A4 575/4885GAA 3409/4885

“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.