SCHEMBL1490915

SCHEMBL1490915

O=c1c[c]c2ccc(O)cc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.52
CA9 Q16790 8/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
AKR1B1 P15121 4/20 0.52
MCL1 Q07820 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 2/20 0.52
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
MEN1 O00255 1/20 0.52
CA1 P00915 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
HSD17B3 P37058 6/20 0.46
MAOB P27338 3/20 0.46
LMNA P02545 2/20 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
SCHEMBL5206649 0.78 PGR (0.38) CA12CA9KMT2AMEN1CA1
SCHEMBL961967 0.74 KDM4E (0.56) CA12CA9KDM4EALDH1A1AKR1B1
SCHEMBL1041307 0.72 CA12 (0.43) CA12CA9KDM4EALDH1A1AKR1B1
SCHEMBL23300927 0.71 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL7023043 0.71 ALDH1A1 (0.53) KDM4EALDH1A1MCL1HSD17B10HPGD
SCHEMBL5672265 0.70 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10HPGDKMT2A
Umbelliferone SCHEMBL29396070 0.68 CA9 (1.00) CA12CA9KDM4EALDH1A1AKR1B1
Umbelliferone SCHEMBL29624448 0.68 CA9 (1.00) CA12CA9KDM4EALDH1A1AKR1B1
Umbelliferone SCHEMBL11137587 0.68 CA9 (1.00) CA12CA9KDM4EALDH1A1AKR1B1
SCHEMBL16289498 0.68 KDM4E (0.41) CA12CA9KDM4EALDH1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024042313-A1 COMPOUNDS UNIVERSITY OF SOUTHAMPTON (GB) 2024-02-29 WO claimed
WO-2024042313-A1 COMPOUNDS UNIVERSITY OF SOUTHAMPTON (GB) 2024-02-29 WO disclosed
EP-2956774-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION Imabiotech (FR) 2015-12-23 EP disclosed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
WO-2014125112-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION IMABIOTECH (FR) 2014-08-21 WO disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed
EP-2018429-A1 GENETICALLY ENCODED FLUORESCENT COUMARIN AMINO ACIDS The Scrips Research Institute (US) 2009-01-28 EP disclosed
WO-2007139870-A1 GENETICALLY ENCODED FLUORESCENT COUMARIN AMINO ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-12-06 WO disclosed
EP-0998474-B1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-07 EP disclosed
EP-0998474-A1 PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-05-10 EP disclosed
WO-1999003855-A1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-01-28 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB CA12 4875/4885CA9 4862/4885KDM4E 854/4885

“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.