SCHEMBL5523474

SCHEMBL5523474

CCC(C)C1(OC(=O)C2CCCCC2C(=O)OC2(C(C)CC)CCCCC2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
TP53 P04637 1/20 0.36
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SCN1A P35498 1/20 0.34

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
SCHEMBL5523471 0.94 ACE (0.35) CYP3A4TP53ABCB11LMNACYP1A2
SCHEMBL5520502 0.85 GAA (0.34) CYP3A4CYP1A2CYP2C9MEN1KMT2A
SCHEMBL2380767 0.83 CYP3A4 (0.36) CYP3A4TP53ABCB11LMNACYP1A2
SCHEMBL5520500 0.80 POLB (0.35) LMNATSHRHSD17B10MEN1MAPK1
SCHEMBL23159802 0.78 PPARA (0.31)
SCHEMBL2380769 0.78 ACE (0.38) CYP3A4TP53LMNATSHRALDH1A1
SCHEMBL4406132 0.76 TSHR (0.37) TSHRALDH1A1
SCHEMBL8101650 0.76 PPARA (0.30)
SCHEMBL13325019 0.76 MME (0.32) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL4399277 0.74 TSHR (0.38) TSHRALDH1A1

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
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-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 CYP3A4 575/4885TP53 3031/4885ABCB11 3444/4885

“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.