SCHEMBL454618

SCHEMBL454618

COc1c(C(=O)O)c(=O)oc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.78
CA9 Q16790 3/20 0.78
MAPT P10636 4/20 0.58
CYP2C9 P11712 3/20 0.56
HSD17B10 Q99714 2/20 0.54
ABCG2 Q9UNQ0 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL21835011 0.89 CA12 (0.80) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL31344358 0.88 CA12 (0.74) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL6258750 0.88 CA12 (0.74) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL5063251 0.85 CA12 (0.61) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL30383399 0.81 ALDH1A1 (0.71) CA12CA9MAPTCYP2C9HSD17B10
Ethylene Glycol SCHEMBL28163407 0.80 CA12 (0.52) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL24864831 0.80 CA12 (0.62) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL831768 0.80 CA12 (0.66) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL29854772 0.80 CA12 (0.66) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL7753264 0.80 CA12 (0.57) CA12CA9MAPTCYP2C9HSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9377466-B2 Compounds and methods MODPRO AB (SE) 2016-06-28 US disclosed
US-20130261013-A1 Compounds and Methods MODPRO AB (SE) 2013-10-03 US disclosed
EP-2613796-A2 COMPOUNDS AND METHODS Modpro AB (SE) 2013-07-17 EP disclosed
WO-2012032068-A2 COMPOUNDS AND METHODS MODPRO AB (SE) 2012-03-15 WO disclosed
EP-1590479-B1 NUCLEIC ACID AMPLIFICATION GE HEALTHCARE BIO SCIENCES (US) 2010-11-24 EP disclosed
EP-1421213-B1 LABELED NUCLEOSIDE POLYPHOSPHATES GE HEALTHCARE BIO SCIENCES (US) 2010-02-17 EP disclosed
US-7393640-B2 Terminal-phosphate-labeled nucleotides with new linkers GE HEALTHCARE BIO-SCIENCES CORP. (US) 2008-07-01 US disclosed
US-7125671-B2 Nucleic acid amplification with terminal-phosphate labeled nucleotides GE HEALTHCARE BIO-SCIENCES CORP. (US) 2006-10-24 US disclosed
US-7041812-B2 Labeled nucleoside polyphosphates AMERSHAM BIOSCIENCES CORP (US) 2006-05-09 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-20130261013-A1 Compounds and Methods NOS2, NOS1, NOS3 CA12 3108/4885CA9 3567/4885MAPT 2920/4885

“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.