SCHEMBL6522467

SCHEMBL6522467

C=C(CC(=O)OC(C)C(=O)OC1CCCC1)C(=O)OC(C)C(=O)OC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.36
CYP19A1 P11511 1/20 0.36
NAAA Q02083 2/20 0.35
HTT P42858 1/20 0.33
KLK7 P49862 2/20 0.33
CYP2C19 P33261 1/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
ANPEP P15144 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LTA4H P09960 1/20 0.32
LAP3 P28838 1/20 0.32
NPEPPS P55786 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPR3 P17342 1/20 0.31
CACNA1B Q00975 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
SCHEMBL6522709 0.99 EPHX1 (0.39) EPHX1CYP19A1NAAAHTTKLK7
SCHEMBL22615785 0.82 NAAA (0.39) EPHX1CYP19A1NAAAHTTKLK7
SCHEMBL7817661 0.79 CYP19A1 (0.42) EPHX1CYP19A1NAAAHTTKLK7
SCHEMBL4186627 0.79 CYP19A1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL4676572 0.79 NAAA (0.44) EPHX1CYP19A1NAAAHTTKLK7
SCHEMBL6514852 0.78 TSHR (0.33)
SCHEMBL7061470 0.77 NAAA (0.45) EPHX1CYP19A1NAAAHTTKLK7
SCHEMBL6524022 0.77 TSHR (0.32)
SCHEMBL4677958 0.76 CYP19A1 (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL18126199 0.76 NAAA (0.55) EPHX1CYP19A1NAAAHTTKLK7

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 EPHX1 558/4885CYP19A1 2315/4885NAAA 2110/4885

“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.