SCHEMBL4284484

SCHEMBL4284484

C#CCOc1cc(CCl)cc(OCC#C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.42
MAOB P27338 7/20 0.39
MAOA P21397 5/20 0.39
ACHE P22303 1/20 0.39
CA12 O43570 6/20 0.38
CA4 P22748 6/20 0.38
CA9 Q16790 6/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GMPS P49915 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL3204571 0.84 GSTP1 (0.52) GSTP1MAOBMAOAACHECA12
SCHEMBL4278916 0.83 GSTP1 (0.46) GSTP1MAOBMAOAACHECA12
SCHEMBL3452132 0.79 CA12 (0.50) GSTP1MAOBMAOAACHECA12
SCHEMBL13913079 0.79 GSTP1 (0.42) GSTP1MAOBMAOAACHECA12
SCHEMBL13591057 0.79 GSTP1 (0.42) GSTP1MAOBMAOAACHECA12
SCHEMBL105466 0.79 GSTP1 (0.46) GSTP1MAOBMAOAACHECA12
SCHEMBL13591053 0.77 GSTP1 (0.41) GSTP1MAOBMAOAACHECA12
SCHEMBL13591060 0.77 GSTP1 (0.41) GSTP1MAOBMAOAACHECA12
SCHEMBL13591058 0.77 GSTP1 (0.41) GSTP1MAOBMAOAACHECA12
SCHEMBL9503476 0.75 CA12 (0.46) GSTP1MAOBMAOAACHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256126-B1 New labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2015-07-01 EP disclosed
US-9005892-B2 Labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2015-04-14 US disclosed
US-20120190838-A1 Labelling Strategies for the Sensitive Detection of Analytes BASECLICK GMBH (DE) 2012-07-26 US disclosed
US-20120172582-A1 Labelling Strategies for the Sensitive Detection of Analytes BASECLICK GMBH (DE) 2012-07-05 US disclosed
US-20120157327-A1 Labelling Strategies for the Sensitive Detection of Analytes BASECLICK GMBH (DE) 2012-06-21 US disclosed
US-20120107943-A1 Labelling Strategies for the Sensitive Detection of Analytes BASECLICK GMBH (DE) 2012-05-03 US disclosed
EP-2270228-A1 New labelling strategies for the sensitive detection of analytes baseclick GmbH (DE) 2011-01-05 EP disclosed
EP-2266996-A2 New labelling strategies for the sensitive detection of analytes baseclick GmbH (DE) 2010-12-29 EP disclosed
EP-2256126-A1 New labelling strategies for the sensitive detection of analytes baseclick GmbH (DE) 2010-12-01 EP disclosed
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
EP-1765910-A2 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS The Scripps Research Institute (US) 2007-03-28 EP disclosed
WO-2006005046-A9 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS SCRIPPS RESEARCH INST (US) 2006-03-09 WO disclosed
WO-2006005046-A2 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-01-12 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 (4 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-20120172582-A1 Labelling Strategies for the Sensitive Detection of Analytes MTREX, ADAR, GUSB GSTP1 1386/4885MAOB 1891/4885MAOA 2579/4885
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS CROCC, JAK3, APOBEC3A GSTP1 3597/4885MAOB 2450/4885MAOA 3629/4885
US-20120190838-A1 Labelling Strategies for the Sensitive Detection of Analytes MTREX, ADAR, GUSB GSTP1 1386/4885MAOB 1891/4885MAOA 2579/4885
US-20120157327-A1 Labelling Strategies for the Sensitive Detection of Analytes MTREX, ADAR, GUSB GSTP1 1386/4885MAOB 1891/4885MAOA 2579/4885

“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.