SCHEMBL14616693

SCHEMBL14616693

CC(=O)c1c(O)cc(O)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
MAPT P10636 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA9 Q16790 1/20 0.51
SLC5A1 P13866 2/20 0.50
SLC5A2 P31639 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 2/20 0.49
BRD4 O60885 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.46
KCNA2 P16389 1/20 0.46
KCNA5 P22460 1/20 0.46

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
SCHEMBL30789227 1.00 MAOB (0.56) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL658101 0.90 MAOB (0.61) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL30141054 0.90 MAOB (0.61) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL10147478 0.88 MAPT (0.53) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL756911 0.85 MAOB (0.57) MAOBMAPTSLC5A1SLC5A2HPGD
SCHEMBL18526952 0.84 MAOB (0.51) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL30892463 0.83 MAOB (0.76) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1728168 0.83 MAOB (0.76) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL14181066 0.83 MAOB (0.68) MAOBCYP2C19SMN1; SMN2L3MBTL1SLC5A1
SCHEMBL11739144 0.81 MAOB (0.59) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2

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-9181293-B2 Method for the synthesis of aspalathin and analogues thereof SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2015-11-10 US disclosed
US-20130018182-A1 Method for the Synthesis of Aspalathin and Analogues Thereof SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2013-01-17 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-20130018182-A1 Method for the Synthesis of Aspalathin and Analogues Thereof ASPH, C9, ALDH3A1 MAOB 1865/4885MAPT 3291/4885CYP2C9 119/4885

“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.