SCHEMBL1465660

SCHEMBL1465660

POc1ccccc1OP

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 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
SCHEMBL14479650 0.85 CA1 (0.72) CA1CA2CA7CA9CA12
SCHEMBL11948472 0.83 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL29645438 0.83 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL28795709 0.79 CA12 (0.31) CA1CA2CA7CA9CA12
SCHEMBL20385155 0.78
SCHEMBL8191834 0.78
SCHEMBL21364247 0.78
SCHEMBL4317437 0.78
SCHEMBL17364483 0.77 TSHR (0.52) ALDH1A1TSHRHTTMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL31501476 0.76 TSHR (0.46) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518368-B2 Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-08-27 US disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
EP-2158154-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE Kanata Chemical Technologies Inc. (CA) 2010-03-03 EP disclosed
US-20090137687-A1 Compositions and Methods With Enhanced Therapeutic Activity OXIGENE, INC. (US) 2009-05-28 US disclosed
US-20090137687-A1 Compositions and Methods With Enhanced Therapeutic Activity OXIGENE, INC. (US) 2009-05-28 US disclosed
WO-2008141439-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-11-27 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-20090137687-A1 Compositions and Methods With Enhanced Therapeutic Activity NQO1, MKI67, COMT CA1 1191/4885CA2 640/4885CA7 274/4885

“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.