SCHEMBL6813231

SCHEMBL6813231

O=C(O)c1ccccc1Nc1ccccc1Oc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.59
KDM4E B2RXH2 1/20 0.57
APAF1 O14727 1/20 0.57
RECQL P46063 1/20 0.57
CASP6 P55212 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
MCL1 Q07820 1/20 0.57
CASP8 Q14790 1/20 0.57
HTT P42858 1/20 0.57
FABP3 P05413 2/20 0.56
FABP5 Q01469 2/20 0.56
CDC25B P30305 4/20 0.55
CCR2 P41597 5/20 0.55
CCR1 P32246 1/20 0.55
AKR1C3 P42330 5/20 0.53
AKR1C2 P52895 4/20 0.53
MEN1 O00255 2/20 0.53
AKR1B10 O60218 2/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL30462469 0.88 FABP4 (0.57) FABP4KDM4EAPAF1RECQLCASP6
SCHEMBL28550164 0.88 FABP4 (0.57) FABP4KDM4EAPAF1RECQLCASP6
SCHEMBL6141415 0.83 TAS2R14 (0.67) FABP4CCR2CCR1AKR1C3AKR1C2
SCHEMBL446113 0.83 HTT (0.77) KDM4ERECQLHTTCCR2CCR1
SCHEMBL29682980 0.83 HTT (0.77) KDM4ERECQLHTTCCR2CCR1
SCHEMBL30320327 0.83 FABP4 (0.80) FABP4KDM4EAPAF1RECQLCASP6
SCHEMBL355549 0.83 FABP4 (0.80) FABP4KDM4EAPAF1RECQLCASP6
SCHEMBL30638203 0.83 KDM4E (0.75) FABP4KDM4EAPAF1RECQLCASP6
SCHEMBL4246571 0.83 KDM4E (0.75) FABP4KDM4EAPAF1RECQLCASP6
SCHEMBL9953689 0.81 KDM4E (0.83) FABP4KDM4EAPAF1RECQLCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142993-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040142993-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US 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-20040142993-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 FABP4 4112/4885KDM4E 2739/4885APAF1 1922/4885

“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.