SCHEMBL6521047

SCHEMBL6521047

O=C(CCc1ccccc1)COC(=O)/C=C/C(=O)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCB1 P08183 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
EPHX2 P34913 1/20 0.40
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL6517295 0.86 HCAR2 (0.42) HCAR2ALDH1A1L3MBTL1EPHX2MAPT
SCHEMBL6520834 0.80 MEN1 (0.48) ALDH1A1L3MBTL1CYP2C19TDP1MAPT
SCHEMBL28004354 0.79 HCAR2 (0.51) HCAR2ALDH1A1CYP2C19ABCB1TAAR1
SCHEMBL28004358 0.79 TAAR1 (0.44) HCAR2L3MBTL1ABCB1TAAR1EPHX2
SCHEMBL6515489 0.78 MEN1 (0.49) ALDH1A1L3MBTL1CYP2C19TDP1MAPT
SCHEMBL6519870 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP2C19ABCB1TAAR1
SCHEMBL28003838 0.76 HCAR2 (0.49) HCAR2ALDH1A1L3MBTL1TAAR1EPHX2
SCHEMBL7044306 0.76 HCAR2 (0.55) HCAR2AKR1B10AKR1B1TDP1MAPT
SCHEMBL10007758 0.76 TDP1 (0.54) ALDH1A1L3MBTL1CYP2C19ABCB1TAAR1
SCHEMBL24616697 0.75 EPHX1 (0.39) ALDH1A1L3MBTL1CYP2C19TDP1EPHX1

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 HCAR2 3143/4885ALDH1A1 1254/4885L3MBTL1 1615/4885

“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.