SCHEMBL8532988

SCHEMBL8532988

COc1cc(/C=C/C(=O)Oc2cc3c(cc2C(=O)O)OCO3)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ EPHX2 P34913 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.54
▸ CA12 O43570 3/20 0.54
▸ CA4 P22748 3/20 0.54
▸ CA6 P23280 3/20 0.54
▸ CA5A P35218 3/20 0.54
▸ CA7 P43166 3/20 0.54
▸ CA9 Q16790 3/20 0.54
▸ CA14 Q9ULX7 3/20 0.54
▸ CA5B Q9Y2D0 3/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA3 P07451 2/20 0.54
▸ PKM P14618 2/20 0.54
▸ SNCA P37840 2/20 0.54
▸ CSNK2A2 P19784 1/20 0.54
▸ CSNK2B P67870 1/20 0.54
▸ CSNK2A1 P68400 1/20 0.54

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
SCHEMBL9906244 0.87 APP (0.67) APPMAPTEPHX2KDM4ECA12
SCHEMBL9906236 0.86 MAPT (0.63) APPMAPTEPHX2KDM4ECA12
SCHEMBL8531554 0.84 ALDH1A1 (0.55) APPMAPTEPHX2KDM4ECA12
SCHEMBL8521306 0.84 MAPT (0.72) APPMAPTEPHX2KDM4ECA12
SCHEMBL8520691 0.82 ALDH1A1 (0.56) APPMAPTEPHX2KDM4ECA12
SCHEMBL117018 0.82 APP (0.60) APPMAPTEPHX2KDM4ECA12
SCHEMBL1333222 0.78 KDM4E (0.83) APPMAPTEPHX2KDM4ECA12
Ferulate SCHEMBL28492960 0.78 KDM4E (0.73) APPMAPTEPHX2KDM4ECA12
SCHEMBL8531573 0.77 ALDH1A1 (0.64) APPMAPTEPHX2KDM4ECA12
SCHEMBL8520725 0.77 MAPT (0.65) APPMAPTEPHX2KDM4ECYP2D6

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-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease CARMEL BIOSCIENCES, INC. 2012-05-24 — — US disclosed
WO-2010124201-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISEASE INVASC THERAPEUTICS, INC. (US) 2010-10-28 — — WO 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-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease APOB, LDLR, APOL1 APP 1300/4885MAPT 1463/4885EPHX2 921/4885

“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.

Send feedback