SCHEMBL6520877

SCHEMBL6520877

C=C(CC(=O)OCC)C(=O)OCC(=O)C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NLRP3 Q96P20 4/20 0.39
MDM4 O15151 1/20 0.39
LMNA P02545 1/20 0.39
MDM2 Q00987 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PPID Q08752 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
SCHEMBL7039893 0.93 ALDH1A1 (0.39) MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6523757 0.86 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6523994 0.84 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4CYP2C19MEN1
SCHEMBL6522180 0.84 NLRP3 (0.41) MMP8MAPTALDH1A1NLRP3MDM4
SCHEMBL5751142 0.82 MMP8 (0.50) MMP8MAPTALDH1A1NLRP3MDM4
SCHEMBL6517409 0.79 ALDH1A1 (0.50) MAPTALDH1A1CYP2C19MEN1KMT2A
SCHEMBL6513820 0.76 HCAR2 (0.41) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL6519486 0.74 ABCB1 (0.45) ALDH1A1NLRP3SMN1; SMN2PPID
SCHEMBL6519483 0.74 MAPT (0.63) MMP8MAPTALDH1A1MDM4LMNA
SCHEMBL6521140 0.74 KMT2A (0.40) MMP8MAPTALDH1A1MEN1KMT2A

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 MMP8 1685/4885MAPT 3438/4885ALDH1A1 1254/4885

“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.