SCHEMBL14078661

SCHEMBL14078661

CC(C)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 7/20 0.73
CYP2C9 P11712 6/20 0.73
CRHBP P24387 1/20 0.73
CASP7 P55210 1/20 0.73
CASP6 P55212 1/20 0.73
CRHR2 Q13324 1/20 0.73
HIF1A Q16665 1/20 0.73
VKORC1 Q9BQB6 2/20 0.72
TOP1 P11387 1/20 0.69

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
SCHEMBL310481 0.90 VKORC1 (0.82) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL32659670 0.90 VKORC1 (0.82) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL14078663 0.87 CYP2C9 (0.72) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL18126686 0.86 NQO1 (0.78) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL14172134 0.85 NQO1 (0.68) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL4390609 0.85 NQO1 (1.00) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL28761758 0.84 VKORC1 (0.69) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL7349603 0.84 VKORC1 (1.00) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL5730839 0.84 CYP2C9 (0.56) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL7072964 0.84 NQO1 (0.60) NQO1CYP2C9CRHBPCASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders ARYX THERAPEUTICS, INC. 2007-06-07 US disclosed
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders ARYX THERAPEUTICS, INC. 2007-06-07 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 (2 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-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885CYP2C9 24/4885CRHBP 2941/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885CYP2C9 24/4885CRHBP 2941/4885

“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.