SCHEMBL338124

SCHEMBL338124

CCOC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.66
CA1 P00915 5/20 0.66
CA2 P00918 5/20 0.66
CA7 P43166 5/20 0.66
CA9 Q16790 5/20 0.66
CA14 Q9ULX7 5/20 0.66
HSD17B2 P37059 1/20 0.59
ESR1 P03372 2/20 0.53
ESR2 Q92731 1/20 0.53
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
SLC22A12 Q96S37 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL13812160 0.83 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL17594423 0.83 LMNA (0.54) CA12CA1CA2CA7CA9
SCHEMBL28289517 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL13193177 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL30863575 0.82 CA1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL399625 0.82 CA1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL4694878 0.82 HSD17B2 (0.60) CA12CA1CA2CA7CA9
SCHEMBL13812237 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
Water SCHEMBL16678551 0.82 CA12 (0.96) CA12CA1CA2CA7CA9
SCHEMBL6990343 0.81 CA12 (0.53) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 US disclosed
CN-106674042-A Method for preparing 3-cyan-4-hydroxy ethyl benzoate 苏州山青竹生物医药有限公司 2017-05-17 CN disclosed
CN-106674042-A Method for preparing 3-cyan-4-hydroxy ethyl benzoate 苏州山青竹生物医药有限公司 2017-05-17 CN disclosed
CN-106674054-A Method for preparing 3-cyan-4-isopropoxy ethyl benzoate 苏州山青竹生物医药有限公司 2017-05-17 CN disclosed
US-8097652-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2012-01-17 US disclosed
US-20100010090-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY 2010-01-14 US disclosed
EP-2102153-A1 AMPA RECEPTOR POTENTIATORS Eli Lilly & Company (US) 2009-09-23 EP disclosed
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
EP-1452528-B1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO (JP) 2008-08-13 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
WO-2008073789-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-06-19 WO disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070265283-A1 Xanthine Oxidase Inhibitor NIPPON CHEMIPHAR CO., LTD. 2007-11-15 US disclosed
US-7253154-B2 Substituted thiazolopyrimidines as xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2007-08-07 US disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed
US-20050090472-A1 Xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2005-04-28 US disclosed
EP-1452528-A1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO., LTD. (JP) 2004-09-01 EP disclosed
US-4151297-A Bicyclo [3.1.0] hexyl-substituted ethylamino carbonyl phenoxy cardiovascular agents SYNTEX (U.S.A.) INC. (US) 1979-04-24 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 (5 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 CA12 2225/4885CA1 522/4885CA2 625/4885
US-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C CA12 2396/4885CA1 2414/4885CA2 1789/4885
US-20100010090-A1 AMPA RECEPTOR POTENTIATORS GRIN1, GRIK2, GRIK1 CA12 2984/4885CA1 856/4885CA2 1049/4885
US-20050090472-A1 Xanthine oxidase inhibitors XDH, CBR1, NOX1 CA12 1249/4885CA1 968/4885CA2 900/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 CA12 1276/4885CA1 1007/4885CA2 951/4885

“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.