SCHEMBL12795657

SCHEMBL12795657

COC(=O)/C=C/c1cc(C)cc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
TYR P14679 1/20 0.61
TTR P02766 1/20 0.56
APP P05067 1/20 0.56
PTPN1 P18031 1/20 0.53
EPHX2 P34913 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
MEN1 O00255 2/20 0.50
BACE1 P56817 1/20 0.50
TP53 P04637 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
SCHEMBL17787389 0.91 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1659804 0.89 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL1659803 0.89 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL16439204 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL17705228 0.83 AKR1C3 (0.57) CA12CA1CA2CA7CA9
SCHEMBL16429907 0.81 PKM (0.56) CA12CA1CA2CA7CA9
SCHEMBL12795658 0.81 PKM (0.56) CA12CA1CA2CA7CA9
SCHEMBL17344062 0.81 TTR (0.47) CA12CA1CA2CA7CA9
SCHEMBL28928255 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7992782 0.80 CYP1A2 (0.67) CA12CA1CA2CA7CA9

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-20110086912-A1 Derivatives of Propane Diyl Dicinnamate MACGREGOR ALEXANDER 2011-04-14 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-20110086912-A1 Derivatives of Propane Diyl Dicinnamate H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DECR2, DECR1 CA12 1184/4885CA1 1860/4885CA2 489/4885

“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.