SCHEMBL6399694

SCHEMBL6399694

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
TSHR P16473 7/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 3/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
CTSK P43235 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL6404657 0.97 ALDH1A1 (0.64) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6401470 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6404115 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6401121 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL5643425 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6400036 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6401247 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6407091 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6398585 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6399184 0.96 ALDH1A1 (0.66) ALDH1A1SCN1ASCN2ASCN3ATSHR

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
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-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 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 (2 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 3078/4885SCN1A 3770/4885SCN2A 3734/4885
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents CHAMP1, PYCR1, PRMT5 ALDH1A1 4603/4885SCN1A 2005/4885SCN2A 2543/4885

“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.