SCHEMBL5645922

SCHEMBL5645922

CCCCCCCCCCCCCCC1(C(=O)O)CCC(C)CC1(CCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
EPHX2 P34913 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX15 P16050 1/20 0.32
PDE4A P27815 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5647108 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5645291 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5649296 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5643640 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5649860 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5643465 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5645675 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5647211 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5643906 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD
SCHEMBL5646278 1.00 CYP1A2 (0.35) CYP1A2EPHX2GPR84PPARGPPARD

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-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 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

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 CYP1A2 677/4885EPHX2 142/4885GPR84 127/4885

“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.