SCHEMBL6520402

SCHEMBL6520402

CC(OC(=O)/C=C/C(=O)OC(C)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
EPHX1 P07099 2/20 0.39
HCAR2 Q8TDS4 1/20 0.36
NAAA Q02083 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 2/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6522158 0.98 CYP19A1 (0.42) CYP19A1EPHX1HCAR2NAAAL3MBTL1
SCHEMBL7061468 0.88 CYP19A1 (0.43) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL8780167 0.87 CYP19A1 (0.42) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL8780161 0.87 CYP19A1 (0.42) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL4673088 0.86 CYP19A1 (0.41) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL6523808 0.85 HCAR2 (0.35) CYP19A1HCAR2
SCHEMBL29676968 0.84 CACNA1B (0.35) CYP19A1EPHX1HCAR2NAAAHTT
SCHEMBL29676931 0.84 CACNA1B (0.35) CYP19A1EPHX1HCAR2NAAAHTT
SCHEMBL23323307 0.82 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL7061110 0.82 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT

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 CYP19A1 2315/4885EPHX1 558/4885HCAR2 3143/4885

“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.