SCHEMBL2552347

SCHEMBL2552347

COc1ccccc1-c1cc2ccc(O)cc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 10/20 1.00
NPC1 O15118 3/20 0.67
ERAP1 Q9NZ08 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
ATM Q13315 1/20 0.67
TLR9 Q9NR96 1/20 0.67
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
SIRT3 Q9NTG7 1/20 0.62
GPR35 Q9HC97 1/20 0.59
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GLA P06280 2/20 0.57
CYP3A4 P08684 2/20 0.57
USP2 O75604 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL28591504 0.85 MIF (0.74) MIFNPC1ERAP1TDP1ATM
SCHEMBL11068548 0.85 MIF (0.74) MIFNPC1ERAP1TDP1ATM
SCHEMBL6686813 0.84 MIF (0.72) MIFNPC1TDP1ATMMEN1
SCHEMBL28815578 0.84 MIF (0.73) MIFNPC1ERAP1TDP1ATM
SCHEMBL18583707 0.83 MIF (0.71) MIFNPC1ERAP1TDP1ATM
SCHEMBL1706856 0.81 MIF (0.74) MIFNPC1TDP1MEN1KMT2A
SCHEMBL30108452 0.81 MIF (0.74) MIFNPC1TDP1MEN1KMT2A
SCHEMBL250387 0.81 MIF (0.68) MIFNPC1ERAP1TDP1ATM
SCHEMBL28598219 0.81 MIF (0.67) MIFNPC1ERAP1TDP1ATM
SCHEMBL28591500 0.80 NPC1 (0.77) MIFNPC1ERAP1TDP1ATM

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
EP-2557922-A2 CONTROL OF ARTHROPODS IN ANIMAL ENVIRONMENTS Exosect Limited (GB) 2013-02-20 EP disclosed
WO-2011128639-A2 CONTROL OF ARTHROPODS IN ANIMAL ENVIRONMENTS EXOSECT LIMITED (GB) 2011-10-20 WO disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MIF 1992/4885NPC1 362/4885ERAP1 2734/4885

“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.