SCHEMBL6405076

SCHEMBL6405076

CCC(C)C1(OC(=O)c2ccccc2C(=O)OC2(C(C)CC)CCCCC2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.38
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HCN4 Q9Y3Q4 3/20 0.36
HCN1 O60741 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 1/20 0.36
CETP P11597 2/20 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
SCHEMBL6405072 0.95 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4CA2TDP1
SCHEMBL6400043 0.84 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1CHRM2
SCHEMBL6400041 0.79 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL23159802 0.76 PPARA (0.31)
SCHEMBL6400218 0.75 TSHR (0.46) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL6402078 0.75 TSHR (0.46) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL8101650 0.73 PPARA (0.30)
SCHEMBL13325019 0.73 MME (0.32) TSHRCYP3A4TDP1CHRM2CHRM4
SCHEMBL6405723 0.73 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4CA2TDP1
SCHEMBL304215 0.73 SCN1A (0.52) TSHRALDH1A1CYP3A4TDP1L3MBTL1

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 TSHR 3173/4885ALDH1A1 3078/4885CYP3A4 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.