SCHEMBL6522200

SCHEMBL6522200

C=C(CC(=O)OC)C(=O)OCC(=O)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
HSD17B10 Q99714 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL6515576 0.90 MAPT (0.32) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6516577 0.89 MAPT (0.34) EPHX1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6522614 0.87 NPSR1 (0.32) EPHX2NPSR1EPHX1SMN1; SMN2
SCHEMBL6518206 0.87 ALDH1A1 (0.39) NPSR1ALDH1A1MGAMGAASI
SCHEMBL6519779 0.85 NAAA (0.36) NPSR1EPHX1SMN1; SMN2
SCHEMBL6519413 0.84 CYP2C19 (0.38) NPSR1EPHX1SMN1; SMN2
SCHEMBL6515961 0.84 CYP2C19 (0.38) NPSR1EPHX1SMN1; SMN2
SCHEMBL6524359 0.82 EPHX2 (0.39) EPHX2NPSR1ALDH1A1SMN1; SMN2
SCHEMBL6523758 0.81 THRB (0.40) EPHX2EPHX1ALDH1A1
SCHEMBL6520319 0.80 NAAA (0.40) EPHX2NPSR1EPHX1ALDH1A1SMN1; SMN2

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 EPHX2 661/4885NPSR1 4153/4885EPHX1 558/4885

“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.