SCHEMBL6517409

SCHEMBL6517409

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL6513324 0.91 KMT2A (0.50) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6515547 0.88 KMT2A (0.48) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6515223 0.88 MAPT (0.42) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6514707 0.85 KMT2A (0.43) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6518193 0.84 KMT2A (0.47) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9873848 0.83 MAPT (0.61) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6522220 0.83 KMT2A (0.45) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6519563 0.83 NPC1 (0.53) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6516142 0.82 TSHR (0.41) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6519694 0.82 KMT2A (0.59) ALDH1A1MAPTNPC1RAB9AKMT2A

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 1254/4885MAPT 3438/4885NPC1 3563/4885

“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.