SCHEMBL6093598

SCHEMBL6093598

COc1cc(OS(C)(=O)=O)cc(OC)c1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.53
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.43
PRKDC P78527 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.38
PSMD14 O00487 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
HPGD P15428 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PDE4B Q07343 1/20 0.35

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
SCHEMBL20634506 0.83 ERN1 (0.51) ERN1LMNAALDH1A1PRKDCTDP1
2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 0.81 ERN1 (0.74) ERN1LMNAALDH1A1PRKDCTDP1
SCHEMBL2455543 0.80 ACHE (0.46) ALDH1A1KDM4EMAPTHPGDCYP1A1
SCHEMBL12258658 0.80 HPGD (0.40) ERN1ALDH1A1TDP1TSHRKDM4E
SCHEMBL3818395 0.79 ERN1 (0.60) ERN1LMNAALDH1A1PRKDCTDP1
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 0.79 ERN1 (0.71) ERN1LMNAALDH1A1PRKDCTDP1
SCHEMBL9958455 0.79 ALDH1A1 (0.69) ALDH1A1PRKDCTDP1TSHRKDM4E
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687256 0.78 ERN1 (0.75) ERN1LMNAALDH1A1PRKDCTDP1
SCHEMBL2373873 0.76 ERN1 (0.56) ERN1LMNAALDH1A1PRKDCTDP1
SCHEMBL9958559 0.76 CYP1A1 (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A

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-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
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 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 (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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 ERN1 2367/4885LMNA 1688/4885ALDH1A1 159/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ERN1 2696/4885LMNA 975/4885ALDH1A1 828/4885

“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.