SCHEMBL6521049

SCHEMBL6521049

CCCCOCCOC(=O)/C=C/C(=O)OCC(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.50
ATM Q13315 1/20 0.45
AKR1B10 O60218 4/20 0.45
AKR1B1 P15121 4/20 0.45
MAPT P10636 1/20 0.43
PLA2G4B P0C869 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
AKR1C3 P42330 1/20 0.42
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.41
ALOX5 P09917 1/20 0.41
HDAC3 O15379 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
SCHEMBL6523139 0.81 MEN1 (0.50) HCAR2ATMMAPTHPGD
SCHEMBL3695735 0.80 ATM (0.62) HCAR2ATMAKR1B10AKR1B1MAPT
SCHEMBL7044306 0.79 HCAR2 (0.55) HCAR2AKR1B10AKR1B1MAPTTDP1
SCHEMBL6520700 0.78 TDP1 (0.44) PLA2G4BTDP1HPGDHDAC3
SCHEMBL6520752 0.78 HCAR2 (0.68) HCAR2AKR1B10AKR1B1MAPTTDP1
SCHEMBL13387859 0.77 AKR1B10 (0.62) AKR1B10AKR1B1MAOB
SCHEMBL28104396 0.77 AKR1B10 (0.62) AKR1B10AKR1B1MAOB
SCHEMBL2890708 0.77 ATM (0.76) HCAR2ATMMAPTHPGD
SCHEMBL18264191 0.77 ATM (0.76) HCAR2ATMMAPTHPGD
SCHEMBL9869162 0.77 ATM (0.76) HCAR2ATMMAPTHPGD

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 3143/4885ATM 4559/4885AKR1B10 2430/4885

“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.