SCHEMBL6518898

SCHEMBL6518898

C=C(CC(=O)OC1CCCCC1)C(=O)OCC(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
EPHX1 P07099 3/20 0.42
HTT P42858 3/20 0.38
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 3/20 0.34
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MIF P14174 1/20 0.30

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
SCHEMBL6523837 0.87 CYP2C19 (0.41) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6519192 0.87 CYP2C19 (0.41) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6520860 0.86 NAAA (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL528947 0.85 NAAA (0.46) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6513734 0.85 NAAA (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6525944 0.85 NAAA (0.59) NAAAEPHX1HTTALDH1A1
SCHEMBL6523918 0.84 NAAA (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6514899 0.84 NAAA (0.40) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL6519502 0.84 NAAA (0.40) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL22615480 0.84 CYP2C19 (0.40) NAAAEPHX1HTTCYP2C19CYP19A1

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 NAAA 2110/4885EPHX1 558/4885HTT 3273/4885

“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.