SCHEMBL85785

SCHEMBL85785

COC(=O)c1cc(ON=N)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA7 P43166 5/20 0.62
CA9 Q16790 5/20 0.62
CA14 Q9ULX7 5/20 0.62
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 2/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 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
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL643758 0.84 CA1 (0.72) CA12CA1CA2CA7CA9
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL29709382 0.84 CA1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL85830 0.83 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL15767832 0.79 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL27444678 0.78 CA12 (0.62) CA12CA1CA2CA7CA9
Methyl 2,5-Dihydroxybenzoate SCHEMBL38890 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
Methyl 2,5-Dihydroxybenzoate SCHEMBL29457577 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL1316757 0.77 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL8502531 0.77 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL20628874 0.75 CA12 (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. 2014-02-20 US disclosed
US-8507723-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2013-08-13 US disclosed
US-20120322878-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2012-12-20 US disclosed
US-8232428-B2 Polycationic compounds and uses thereof PolyMedix,Inc. (US) 2012-07-31 US disclosed
US-8129566-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2012-03-06 US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 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 (3 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-20120322878-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF CA12 432/4885CA1 1054/4885CA2 1348/4885
US-20110124664-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF CA12 432/4885CA1 1054/4885CA2 1348/4885
US-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF CA12 432/4885CA1 1054/4885CA2 1348/4885

“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.