SCHEMBL6515489

SCHEMBL6515489

O=C(/C=C/C(=O)OC1CCCC1)OCC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6520834 0.99 MEN1 (0.48) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL6519210 0.85 NPC1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL6523885 0.85 NPC1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL6523183 0.85 NPC1 (0.42) MEN1KMT2AALDH1A1CYP2C19MAPT
SCHEMBL6517295 0.81 HCAR2 (0.42) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6518396 0.79 NPC1 (0.48) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL6521047 0.78 HCAR2 (0.44) MEN1KMT2AALDH1A1CYP2C19MAPT
SCHEMBL24616697 0.77 EPHX1 (0.39) MEN1KMT2AALDH1A1CYP2C19RAB9A
Biphenyl SCHEMBL28007530 0.77 FAAH (0.55) ALDH1A1RAB9ATDP1LMNASMN1; SMN2
SCHEMBL6517313 0.76 KMT2A (0.56) MEN1KMT2AALDH1A1MAPTNPC1

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 MEN1 3248/4885KMT2A 1067/4885ALDH1A1 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.