SCHEMBL618766

SCHEMBL618766

O=C(O)c1cc(O)cc(OC(=O)c2cc(O)cc(O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.61
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
CA9 Q16790 6/20 0.61
CA7 P43166 5/20 0.61
CA14 Q9ULX7 5/20 0.61
POLB P06746 1/20 0.49
POLA1 P09884 1/20 0.49
ANTXR2 P58335 1/20 0.49
HCAR1 Q9BXC0 3/20 0.47
NSD2 O96028 1/20 0.44
AURKA O14965 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL21465837 0.94 CA12 (0.58) CA12CA1CA2CA9CA7
SCHEMBL13064975 0.90 POLB (0.65) CA12CA1CA2CA9CA7
SCHEMBL9967346 0.86 CA12 (0.58) CA12CA1CA2CA9CA7
SCHEMBL13064970 0.83 MEN1 (0.62) CA12CA1CA2CA9CA7
SCHEMBL2273560 0.82 MEN1 (0.48) CA12CA1CA2CA9CA7
SCHEMBL3679285 0.81 CA12 (0.56) CA12CA1CA2CA9CA7
SCHEMBL11703054 0.81 CA12 (0.56) CA12CA1CA2CA9CA7
SCHEMBL1716169 0.79 CA12 (0.56) CA12CA1CA2CA9CA7
SCHEMBL15611159 0.79 CA12 (0.51) CA12CA1CA2CA9CA7
SCHEMBL3667804 0.79 SMN1; SMN2 (0.49) CA12CA1CA2CA9CA7

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-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MUNOZ JULIO A (US) 2012-02-16 US disclosed
EP-0455247-A2 m-Phenylenediamine compound and electrophotosensitive material using said compound MITA INDUSTRIAL CO. LTD. (JP) 1991-11-06 EP 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-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CA12 4467/4885CA1 4681/4885CA2 4483/4885

“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.