SCHEMBL13149136

SCHEMBL13149136

COc1cc(OC)c(C(=O)O)c(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
IDO1 P14902 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC37A4 O43826 1/20 0.47
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA3 P07451 1/20 0.44

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
SCHEMBL12586587 0.88 CYP3A4 (0.49) CYP3A4CA12CA1CA2CA7
SCHEMBL9039455 0.87 CYP3A4 (0.55) CYP3A4CA12CA1CA2CA7
SCHEMBL31638876 0.86 CYP3A4 (0.63) CYP3A4CA12CA1CA2CA7
SCHEMBL31643815 0.84 IDO1 (0.43) CYP3A4CA12CA1CA2CA7
SCHEMBL4155491 0.82 CYP3A4 (0.47) CYP3A4CA12CA1CA2CA7
SCHEMBL12552999 0.82 CYP3A4 (0.52) CYP3A4CA12CA1CA2CA7
SCHEMBL28812075 0.79 CA12 (0.46) CYP3A4CA12CA1CA2CA7
SCHEMBL14094952 0.79 CYP3A4 (0.68) CYP3A4CA12CA1CA2CA7
SCHEMBL29690740 0.79 KMT2A (0.46) CYP3A4CA12CA1CA2CA7
SCHEMBL14511729 0.79 CYP3A4 (0.56) CYP3A4CA12CA1CA2CA7

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-8513440-B2 Compositions and methods comprising analogues of radicicol A UNIVERSITE DE STRASBOURG (FR) 2013-08-20 US disclosed
US-20100233279-A1 Compositions And Methods Comprising Analogues Of Radicicol A CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-09-16 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-20100233279-A1 Compositions And Methods Comprising Analogues Of Radicicol A CSNK1A1L, CSNK1A1, ALPL CYP3A4 3362/4885CA12 1204/4885CA1 462/4885

“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.