SCHEMBL5534778

SCHEMBL5534778

O=Cc1[nH]cc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
PARP1 P09874 1/20 0.44
RAB9A P51151 2/20 0.43
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 4/20 0.37
LMNA P02545 1/20 0.37
BACE1 P56817 1/20 0.35
AXL P30530 1/20 0.35
HNF4A P41235 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GRM5 P41594 1/20 0.35
HPGD P15428 2/20 0.34
BCL2L1 Q07817 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL12912910 0.84 ALDH1A1 (0.46) ALDH1A1PARP1MAPTHTTLMNA
SCHEMBL29950988 0.81 NR4A2 (0.42) ALDH1A1LMNATYMP
SCHEMBL28256157 0.74 ALDH1A1 (0.41) ALDH1A1RAB9ALMNAHPGD
SCHEMBL4509218 0.74 ALDH1A1 (0.35) ALDH1A1RAB9AMAPTHTTLMNA
SCHEMBL11441289 0.73 HTT (0.35) ALDH1A1RAB9AMAPTHTTLMNA
SCHEMBL1127261 0.72 MAPT (0.53) ALDH1A1PARP1RAB9AMAPTNPC1
SCHEMBL28655187 0.72 PTGS2 (0.50)
SCHEMBL28080968 0.72 ALDH1A1 (0.41) ALDH1A1PARP1HDAC4HDAC2HDAC8
SCHEMBL4792528 0.71 PARP1 (0.45) ALDH1A1PARP1MAPTAXLCCNE1
SCHEMBL12912932 0.71 ALDH1A1 (0.35) ALDH1A1PARP1RAB9ANPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247392-B2 Materials for selective trapping of carbon monoxide CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-08-21 US disclosed
EP-1414823-B1 MATERIALS FOR SELECTIVE TRAPPING OF CARBON MONOXIDE AIR LIQUIDE (FR) 2007-05-02 EP disclosed
US-20060287195-A1 Novel materials for selective trapping of carbon minixide CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-12-21 US disclosed
EP-1414823-A1 NOVEL MATERIALS FOR SELECTIVE TRAPPING OF CARBON MONOXIDE L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2004-05-06 EP disclosed
WO-2003011865-A1 NOVEL MATERIALS FOR SELECTIVE TRAPPING OF CARBON MONOXIDE L'AIR LIQUIDE, SOCIETE ANONYME A DIRECTOIRE ET CONSEIL DE SURVEILLANCE POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2003-02-13 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-20060287195-A1 Novel materials for selective trapping of carbon minixide CBR1, CBR3, FOXM1 ALDH1A1 1059/4885PARP1 1836/4885RAB9A 345/4885

“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.