SCHEMBL16010437

SCHEMBL16010437

O=C(CCl)c1ccc(O)c(O)c1.O=C(CCl)c1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
PTGS2 P35354 1/20 0.56
GSK3B P49841 2/20 0.54
PLAA Q9Y263 3/20 0.53
ALPG P10696 6/20 0.51
ALPL P05186 2/20 0.50
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL43409 1.00 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL29389757 1.00 CA12 (0.56) CA12CA1CA2CA7CA9
Boric Acid SCHEMBL10752697 0.94 CA12 (0.50) CA12CA1CA2CA7CA9
Catechol SCHEMBL20361612 0.89 GSK3B (0.50) CA12CA1CA2CA7CA9
SCHEMBL8080694 0.83 GSK3B (0.43) CA12CA1CA2CA7CA9
SCHEMBL21055987 0.83 GSK3B (0.55) KDM4EGSK3BTRPA1ALDH1A1MAPK1
SCHEMBL10352002 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL8768769 0.83 GSK3B (0.55) CA1CA2KDM4EGSK3BTRPA1
SCHEMBL9908793 0.82 GSK3B (0.48) CA12CA1CA2CA7CA9
SCHEMBL5455143 0.82 KDM4E (0.49) KDM4EGSK3BTRPA1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256989-A1 PROCESS FOR THE PREPARATION OF HYDROXYTYROSOL WACKER CHEMIE AG (DE) 2014-09-11 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-20140256989-A1 PROCESS FOR THE PREPARATION OF HYDROXYTYROSOL HCAR3, HCAR1, HCAR2 CA12 1721/4885CA1 695/4885CA2 286/4885

“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.