SCHEMBL13039675

SCHEMBL13039675

COc1cc(/C=C/C(=O)/C=C/C(=O)N2CCN(c3ccncc3)CC2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP1B1 Q16678 2/20 0.55
CYP2C8 P10632 1/20 0.55
ACHE P22303 6/20 0.54
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.50
FGFR1 P11362 1/20 0.49
ATM Q13315 1/20 0.49
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47

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
SCHEMBL13039668 0.89 L3MBTL1 (0.61) KDM4EALDH1A1CYP1A1CYP1A2CYP2D6
SCHEMBL13039687 0.82 ALDH1A1 (0.70) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL4377401 0.81 ACHE (0.58) ALDH1A1CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL14190917 0.81 ACHE (0.58) ALDH1A1CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL13039685 0.78 ACHE (0.74) KDM4EALDH1A1HPGDACHELMNA
SCHEMBL14190918 0.77 LMNA (0.63) KDM4EALDH1A1HPGDACHELMNA
SCHEMBL4375452 0.77 LMNA (0.63) KDM4EALDH1A1HPGDACHELMNA
SCHEMBL4378530 0.76 ACHE (0.64) ALDH1A1CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL14190944 0.76 ACHE (0.64) ALDH1A1CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL4384479 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD KDM4E 734/4885ALDH1A1 1688/4885HPGD 1608/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD KDM4E 734/4885ALDH1A1 1688/4885HPGD 1608/4885

“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.