SCHEMBL2555892

SCHEMBL2555892

COc1ccc(CC2=C(O)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
MAPT P10636 6/20 0.64
LMNA P02545 4/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
HTT P42858 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
KDM4E B2RXH2 2/20 0.64
CCR6 P51684 2/20 0.64
HKDC1 Q2TB90 2/20 0.64
NSD2 O96028 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
CASP3 P42574 2/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL12833654 0.83 MAPT (0.65) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL28715336 0.83 MAPK1 (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14765070 0.82 CYP1A2 (0.77) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29506228 0.82 CYP1A2 (0.77) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL13546135 0.80 MAPK1 (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14765018 0.80 CYP1A2 (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL12279541 0.78 KMT2A (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8285451 0.78 MAPT (1.00) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1520566 0.78 APAF1 (0.65) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL28713484 0.78 CYP1A2 (0.53) MEN1KMT2AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102650-A1 ANTIMICROBIAL COMPOUNDS OF 1,4-NAPHTOQUINONE STRUCTURE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-04-25 US disclosed
US-20130102650-A1 ANTIMICROBIAL COMPOUNDS OF 1,4-NAPHTOQUINONE STRUCTURE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-04-25 US disclosed
US-20130102650-A1 ANTIMICROBIAL COMPOUNDS OF 1,4-NAPHTOQUINONE STRUCTURE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-04-25 US disclosed
EP-2555764-A1 ANTIMICROBIAL COMPOUNDS OF 1,4- NAPHTOQUINONE STRUCTURE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-02-13 EP disclosed
WO-2011124697-A1 ANTIMICROBIAL COMPOUNDS OF 1,4- NAPHTOQUINONE STRUCTURE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-10-13 WO disclosed
WO-2011124697-A1 ANTIMICROBIAL COMPOUNDS OF 1,4- NAPHTOQUINONE STRUCTURE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-10-13 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-20130102650-A1 ANTIMICROBIAL COMPOUNDS OF 1,4-NAPHTOQUINONE STRUCTURE NR4A1, NR0B1, CBR1 MEN1 4517/4885KMT2A 3812/4885MAPT 4861/4885

“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.