SCHEMBL14769145

SCHEMBL14769145

Cc1coc(Cc2ccccc2)cc1=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.66
DAO P14920 5/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
NQO1 P15559 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
STS P08842 1/20 0.37

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
SCHEMBL1585486 0.79 IDH1 (1.00) IDH1DAOKDM4E
SCHEMBL584803 0.78 IDH1 (0.54) IDH1DAOKDM4EALDH1A1HPGD
SCHEMBL11483794 0.77 IDH1 (0.57) IDH1DAOKDM4EALDH1A1HPGD
Carbonarone A SCHEMBL21638076 0.74 IDH1 (0.63) IDH1DAOKDM4EALDH1A1HPGD
SCHEMBL12090870 0.74 TYR (0.41) DAOKDM4EALDH1A1POLBNQO1
SCHEMBL27719076 0.74 IDH1 (0.58) IDH1DAOALDH1A1HPGDLMNA
SCHEMBL2468840 0.73 IDH1 (0.54) IDH1DAOKDM4EALDH1A1POLB
SCHEMBL12723378 0.73 IDH1 (0.54) IDH1DAOPOLB
SCHEMBL15978541 0.73 IDH1 (0.53) IDH1DAOKDM4EALDH1A1HPGD
SCHEMBL4141025 0.72 TYR (0.64) IDH1DAOKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR IDH1 1207/4885DAO 438/4885KDM4E 1235/4885

“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.