SCHEMBL6523940

SCHEMBL6523940

C=C(CC(=O)OCC(CC)CCCC)C(=O)OCC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
CYP3A4 P08684 4/20 0.48
CA2 P00918 1/20 0.48
MAPK1 P28482 5/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 1/20 0.36

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
SCHEMBL6516557 0.88 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL6518860 0.86 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL6515917 0.83 L3MBTL1 (0.52) ALDH1A1CYP3A4MAPK1LMNATSHR
SCHEMBL6517026 0.82 CYP3A4 (0.55) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL16345178 0.82 CYP3A4 (0.62) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL6515844 0.82 CYP3A4 (0.55) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL3683407 0.81 CYP3A4 (0.69) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL6523916 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1LMNATDP1KMT2A
SCHEMBL227554 0.80 CYP3A4 (0.62) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL14672533 0.80 CYP3A4 (0.68) ALDH1A1CYP3A4CA2MAPK1LMNA

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 ALDH1A1 1254/4885CYP3A4 3473/4885CA2 3748/4885

“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.