SCHEMBL4458942

SCHEMBL4458942

CC(=O)c1ccc(OC(C)Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
GAA P10253 1/20 0.48
PARP10 Q53GL7 1/20 0.48
STS P08842 1/20 0.47
MAOB P27338 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16800111 0.86 ELANE (0.55) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL103890 0.83 KMT2A (0.70) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL28026421 0.82 PARP10 (0.72) KMT2APOLBPARP10GLAALDH1A1
SCHEMBL8506170 0.82 MAPT (0.59) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL16800113 0.81 KMT2A (0.45) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL6616955 0.81 CA1 (0.60) MAPTRAB9AKMT2ASTSSMN1; SMN2
SCHEMBL10656787 0.80 HPGD (0.57) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL22505175 0.80 MAPT (0.57) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL17911615 0.80 ALDH1A3 (0.41) KMT2APOLBGAAPARP10GLA
SCHEMBL6617827 0.79 MAPT (0.61) MAPTHPGDRAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701938-B1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2012-07-25 EP disclosed
US-7547729-B2 1,3-diphenylprop-2-en-1-one derivative compounds, preparation method thereof and uses of same GENFIT (FR) 2009-06-16 US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 US disclosed
EP-1701938-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME Genfit (FR) 2006-09-20 EP disclosed
WO-2005073184-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2005-08-11 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-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same TYR, DHPS, DDT MAPT 2537/4885HPGD 320/4885RAB9A 3403/4885

“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.