SCHEMBL6516003

SCHEMBL6516003

O=C(/C=C/C(=O)OC1CCCC1)OCC(=O)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
NAAA Q02083 2/20 0.42
HTT P42858 2/20 0.41
CYP19A1 P11511 2/20 0.40
EPHX1 P07099 2/20 0.39
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6523609 1.00 CYP2C19 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6514416 0.98 NAAA (0.41) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6513399 0.96 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6519700 0.95 NAAA (0.43) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL7040880 0.95 NAAA (0.43) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6523231 0.89 NAAA (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6518782 0.87 KMT2A (0.42) CYP2C19NAAAHTTEPHX1RAB9A
SCHEMBL6516594 0.87 HCAR2 (0.42) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6516578 0.87 RAB9A (0.40) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL24616697 0.86 EPHX1 (0.39) CYP2C19NAAAHTTCYP19A1EPHX1

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 CYP2C19 2771/4885NAAA 2110/4885HTT 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.