SCHEMBL6091950

SCHEMBL6091950

COC(=O)c1ccc(CC(=O)c2cc(Br)c(OC)c(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MAPT P10636 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK10 P53779 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CCR6 P51684 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NCOA1 Q15788 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
SCHEMBL6092876 0.82 MAPT (0.45) LMNASMN1; SMN2HPGDHTTMAPT
SCHEMBL30740936 0.82 TSHR (0.70) LMNASMN1; SMN2HPGDTSHRHTT
SCHEMBL31520156 0.82 TSHR (0.70) LMNASMN1; SMN2HPGDTSHRHTT
SCHEMBL2332389 0.78 SMN1; SMN2 (0.46) LMNASMN1; SMN2HTTMAPTCYP1A2
SCHEMBL6092986 0.77 MAPT (0.52) LMNASMN1; SMN2HPGDTSHRHTT
SCHEMBL28658918 0.76 NPC1 (0.64) LMNASMN1; SMN2HPGDHTTCYP3A4
SCHEMBL28944019 0.76 KMT2A (0.57) LMNASMN1; SMN2HTTMAPTL3MBTL1
SCHEMBL8430188 0.76 TSHR (0.66) LMNASMN1; SMN2HPGDTSHRHTT
SCHEMBL1205400 0.76 TSHR (0.66) LMNASMN1; SMN2HPGDTSHRHTT
SCHEMBL2336074 0.76 CCR6 (0.49) LMNASMN1; SMN2HPGDHTTMAPT

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 LMNA 1688/4885SMN1; SMN2 2250/4885HPGD 527/4885

“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.