SCHEMBL6516007

SCHEMBL6516007

O=C(CC(C(=O)O)=C(C(=O)O)C1CCCC1)OC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 2/20 0.41
NAAA Q02083 2/20 0.41
EPHX1 P07099 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 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
SCHEMBL6523615 1.00 HTT (0.43) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6523604 1.00 HTT (0.43) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6515998 1.00 HTT (0.43) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6514408 0.98 HTT (0.41) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6514423 0.98 HTT (0.41) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6513403 0.86 HTT (0.50) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6513394 0.86 HTT (0.50) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6519695 0.84 HTT (0.47) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6519704 0.84 HTT (0.47) HTTCYP2C19CYP19A1NAAAEPHX1
SCHEMBL6516574 0.81 EPHX2 (0.37) SMN1; SMN2NPSR1HSD17B10HDAC8HDAC6

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 3273/4885CYP2C19 2771/4885CYP19A1 2315/4885

“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.