SCHEMBL6094331

SCHEMBL6094331

COC(=O)c1ccc(C(=O)Cc2cc(Br)ccc2OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 6/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL137400 0.79 KDM4E (0.56) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL6307470 0.77 CYP3A4 (0.61) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL154368 0.77 HSD17B10 (0.68) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL4723016 0.76 KDM4E (0.52) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL16293655 0.76 KDM4E (0.52) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL6092548 0.75 KDM4E (0.50) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL3922719 0.75 HSD17B10 (0.69) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL6091795 0.74 CYP19A1 (0.59) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL24802582 0.74 POLB (0.63) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL6615672 0.74 MAPT (0.54) KMT2AALDH1A1MEN1SMN1; SMN2MAPT

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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 WO 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 KMT2A 3991/4885ALDH1A1 159/4885MEN1 514/4885

“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.