SCHEMBL6400455

SCHEMBL6400455

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALOX15 P16050 1/20 0.39
CTSK P43235 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
C5 P01031 1/20 0.36
POLB P06746 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6400374 0.97 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6406727 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6404638 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6401446 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6404701 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6404066 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6407662 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6401499 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6407397 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A
SCHEMBL6401274 0.96 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4ESCN1A

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
CN-103087222-A Olefin polymerization catalyst, process for producing olefin polymer, polypropylene resin composition and article comprising the same SUMITOMO CHEMICAL CO 2013-05-08 CN 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 ALDH1A1 3078/4885TSHR 3173/4885HSD17B10 229/4885

“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.