SCHEMBL6517026

SCHEMBL6517026

C=C(CC(=O)OCC(CC)CCCC)C(=O)OCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ATM Q13315 1/20 0.55
RECQL P46063 1/20 0.47
ALDH1A1 P00352 7/20 0.43
CA2 P00918 4/20 0.43
MAPK1 P28482 3/20 0.42
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.34

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
SCHEMBL6515844 0.95 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL227554 0.90 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL6514835 0.90 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL6517080 0.88 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL6519505 0.82 TDP1 (0.44) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL6523940 0.82 ALDH1A1 (0.48) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL2012834 0.82 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27085744 0.81 TSHR (0.60) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9548454 0.81 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL6517474 0.81 CYP3A4 (0.45) CYP3A4TSHRTDP1ATMRECQL

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 CYP3A4 3473/4885TSHR 3581/4885TDP1 1789/4885

“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.