SCHEMBL3370878

SCHEMBL3370878

O=c1cc(/C=C/c2ccc3c(c2)OCO3)occ1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.67
CYP19A1 P11511 1/20 0.54
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HRH3 Q9Y5N1 3/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
EPHX2 P34913 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3368559 0.92 APP (0.67) APPHRH3
SCHEMBL9636066 0.78 APP (0.77) APPHRH3
SCHEMBL9636069 0.78 APP (0.77) APPHRH3
SCHEMBL8398561 0.77 APP (0.76) APPHRH3ALDH1A1
SCHEMBL8398565 0.77 APP (0.76) APPHRH3ALDH1A1
SCHEMBL21933269 0.77 CYP19A1 (0.69) CYP19A1HDAC4HDAC1CYP3A4ATM
SCHEMBL19472000 0.76 CYP19A1 (0.78) CYP19A1CYP3A4ATMEPHX2HDAC6
SCHEMBL19500874 0.76 CYP19A1 (0.78) CYP19A1CYP3A4ATMEPHX2HDAC6
SCHEMBL9975967 0.75 ALDH1A1 (0.64) CYP19A1HDAC4HDAC1CYP3A4ATM
SCHEMBL9637407 0.74 APP (0.70) APPHRH3HSD17B10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515966-B1 HYDROXY PYRANONE DERIVATIVE AND PREPARATION METHOD THEREOF AMOREPACIFIC CORP (KR) 2010-11-03 EP disclosed
US-6916844-B2 Hydroxy pyranone derivative and preparation method thereof AMOREPACIFIC CORPORATION (KR) 2005-07-12 US disclosed
US-20030236299-A1 Hydroxy pyranone derivative and preparation method thereof AMEOREPACIFIC CORPORATION (KR) 2003-12-25 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-20030236299-A1 Hydroxy pyranone derivative and preparation method thereof HPD, MMP1, MMP13 APP 558/4885CYP19A1 194/4885HDAC4 1151/4885

“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.