SCHEMBL6516587

SCHEMBL6516587

C/C(C(=O)O)=C(/CC(=O)OC1CCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
NAAA Q02083 2/20 0.44
EPHX1 P07099 2/20 0.42
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31

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
SCHEMBL6516597 1.00 HTT (0.45) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6519704 0.87 HTT (0.47) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6519695 0.87 HTT (0.47) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6513403 0.85 HTT (0.50) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6513394 0.85 HTT (0.50) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6523230 0.81 NAAA (0.49) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6523232 0.81 NAAA (0.49) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6520323 0.80 HTT (0.43) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6514423 0.78 HTT (0.41) HTTNAAAEPHX1CYP2C19CYP19A1
SCHEMBL6514408 0.78 HTT (0.41) HTTNAAAEPHX1CYP2C19CYP19A1

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 HTT 3273/4885NAAA 2110/4885EPHX1 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.