SCHEMBL1781881

SCHEMBL1781881

Cc1cc(C)c2ccc(C=O)nc2c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
MAPK1 P28482 1/20 0.69
KDM4E B2RXH2 6/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 2/20 0.60
NPC1 O15118 1/20 0.60
MITF O75030 1/20 0.60
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
AGTR1 P30556 1/20 0.60
HTT P42858 1/20 0.60
MAPT P10636 7/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.55
BRD4 O60885 1/20 0.55
CCR1 P32246 1/20 0.47
KMT2A Q03164 2/20 0.36
OPRK1 P41145 1/20 0.36
ERN1 O75460 4/20 0.35
MEN1 O00255 1/20 0.33

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
SCHEMBL23366130 0.87 GAA (0.55) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL17058834 0.85 GAA (0.68) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL13321137 0.85 GAA (0.68) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL18372228 0.83 GAA (0.66) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL17046879 0.79 MAPT (0.60) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL17046878 0.79 MAPT (0.60) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL6176944 0.78 CCR1 (0.54) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL8090836 0.78 KDM4E (0.68) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL17046863 0.76 GAA (0.57) GAAMAPK1KDM4ERAB9ALMNA
SCHEMBL18372232 0.76 GAA (0.57) GAAMAPK1KDM4ERAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017053696-A2 HALOGENATED QUINOLINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-03-30 WO disclosed
US-9012899-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2015-04-21 US disclosed
US-20130292660-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH NUCLEOPHILIC CARBENE LIGANDS BASF SE (DE) 2013-11-07 US disclosed
US-8492749-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2013-07-23 US disclosed
US-20110114922-A1 Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands UDC IRELAND LIMITED (IE) 2011-05-19 US disclosed
EP-2080796-A1 Electroluminescent metal complexes with nucleophilic carbene ligands Ciba Holding Inc. (CH) 2009-07-22 EP disclosed
WO-2008137128-A2 METHODS OF TREATING FUNGAL INFECTIONS NORTHEASTERN UNIVERSITY (US) 2008-11-13 WO disclosed
EP-1841834-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH NUCLEOPHILIC CARBENE LIGANDS Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-10 EP disclosed
WO-2006067074-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH NUCLEOPHILIC CARBENE LIGANDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-29 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-20110114922-A1 Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands OCIAD1, OCIAD2, C1S GAA 4544/4885MAPK1 1631/4885KDM4E 3216/4885

“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.