SCHEMBL15980779

SCHEMBL15980779

Cc1c(C(C)C)c2ccccc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
CYP2C9 P11712 6/20 0.50
NQO1 P15559 3/20 0.50
CRHBP P24387 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
CRHR2 Q13324 1/20 0.50
HIF1A Q16665 1/20 0.50
VKORC1 Q9BQB6 2/20 0.49
GAA P10253 4/20 0.47
MGAM O43451 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TOP1 P11387 1/20 0.45
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL15842710 0.86 KDM4E (0.54) KDM4ECYP2C9NQO1CRHBPCASP7
SCHEMBL5730839 0.85 CYP2C9 (0.56) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL2450078 0.81 KDM4E (0.71) KDM4ECASP7GAAHSD17B10ALDH1A1
Isopropyl Alcohol SCHEMBL11096119 0.80 KDM4E (0.66) KDM4ECYP2C9NQO1CRHBPCASP7
SCHEMBL14078661 0.77 NQO1 (0.73) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL10238246 0.77 CA2 (0.42) KDM4ECYP2C9NQO1CRHBPCASP7
SCHEMBL94134 0.74 GAA (0.69) KDM4EGAAMGAMSIMGAM2
SCHEMBL5459905 0.74 KDM4E (1.00) KDM4ECYP2C9NQO1VKORC1ALDH1A1
SCHEMBL1992305 0.74 KDM4E (0.62) KDM4ECYP2C9NQO1CASP7GAA
SCHEMBL29695571 0.74 KDM4E (1.00) KDM4ECYP2C9NQO1VKORC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 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 (3 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 KDM4E 1492/4885CYP2C9 4808/4885NQO1 2908/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 KDM4E 3073/4885CYP2C9 4877/4885NQO1 3275/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 KDM4E 3162/4885CYP2C9 4863/4885NQO1 2624/4885

“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.