SCHEMBL1733943

SCHEMBL1733943

CNc1cc(C(=O)OC)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.67
CA2 P00918 5/20 0.67
CA12 O43570 4/20 0.67
CA7 P43166 4/20 0.67
CA9 Q16790 4/20 0.67
CA14 Q9ULX7 4/20 0.67
XDH P47989 2/20 0.67
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 6/20 0.59
HSD17B10 Q99714 4/20 0.59
HPGD P15428 4/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 2/20 0.59
ALOX15 P16050 2/20 0.59
ALOX12 P18054 2/20 0.59
MEN1 O00255 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL13847151 0.85 CA1 (0.67) CA1CA2CA12CA7CA9
SCHEMBL7921827 0.85 CA1 (0.67) CA1CA2CA12CA7CA9
SCHEMBL7420862 0.82 ALDH1A1 (0.69) CA1CA2CA12CA7CA9
SCHEMBL694887 0.81 CYP2C9 (0.57) CA1CA2CA12CA7CA9
SCHEMBL15242597 0.81 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL30234832 0.81 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1545415 0.81 PRKCI (0.59) CA1CA2CA12CA7CA9
SCHEMBL2213755 0.81 KDM5A (0.62) CA1CA2CA12CA7CA9
SCHEMBL8959475 0.81 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL28455641 0.81 CA12 (0.61) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 CA1 4788/4885CA2 4069/4885CA12 4755/4885

“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.