SCHEMBL6514911

SCHEMBL6514911

O=C(O)CC(C(=O)O)=C(CC(=O)OCc1ccccc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
FKBP1A P62942 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6520999 0.82 RAB9A (0.43) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL6513804 0.81 RAB9A (0.46) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL6515143 0.80 EPHX2 (0.46) ALDH1A1GAAMEN1KMT2ACYP2C19
SCHEMBL9355898 0.80 EPHX2 (0.51) ALDH1A1GAAEPHX1SMN1; SMN2MEN1
SCHEMBL8194806 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1GAATSHR
SCHEMBL7700314 0.78 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GAATSHR
SCHEMBL6523911 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL6519872 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHREPHX1SMN1; SMN2
SCHEMBL6520868 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1GAASMN1; SMN2MEN1
SCHEMBL6516332 0.77 ERCC5 (0.49) ALDH1A1MAPK1GAASMN1; SMN2NPC1

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 1254/4885MAPK1 1916/4885L3MBTL1 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.