SCHEMBL6399104

SCHEMBL6399104

CCCC(CCCCCC(C)C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
TSHR P16473 7/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA2 P00918 1/20 0.40
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6404115 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL6401121 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL6398585 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL6401247 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL6401470 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL6399184 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL5643425 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL6400036 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL6407091 1.00 ALDH1A1 (0.66) ALDH1A1PRSS1PRSS2PRSS3SCN1A
SCHEMBL6404657 0.99 ALDH1A1 (0.64) ALDH1A1PRSS1PRSS2PRSS3SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3078/4885PRSS1 4001/4885PRSS2 3877/4885

“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.