SCHEMBL14616682

SCHEMBL14616682

COc1ccc(CCCc2c(OC)cc(C)cc2OC)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CA2 P00918 1/20 0.53
POLB P06746 2/20 0.53
CYP19A1 P11511 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ACHE P22303 1/20 0.52
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
AOC3 Q16853 1/20 0.50
STAT3 P40763 1/20 0.49
MAPT P10636 1/20 0.47
EBP Q15125 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 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
SCHEMBL14642751 0.88 ATM (0.54) ATMKDM4ECA2POLBCYP19A1
SCHEMBL10343404 0.83 ATM (0.70) ATMKDM4ECA2POLBCYP19A1
SCHEMBL30869991 0.83 ATM (0.70) ATMKDM4ECA2POLBCYP19A1
SCHEMBL17472291 0.81 ATM (0.54) ATMKDM4ECA2POLBCYP19A1
SCHEMBL23913120 0.81 ATM (0.68) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31556187 0.81 ATM (0.68) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31556190 0.81 ATM (0.68) ATMKDM4ECA2POLBCYP19A1
SCHEMBL1422005 0.80 CALM1 (0.62) ATMKDM4ECYP19A1MAPT
SCHEMBL16641094 0.79 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31157848 0.79 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1

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 ATM 667/4885KDM4E 550/4885CA2 2921/4885

“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.