SCHEMBL4464024

SCHEMBL4464024

O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
CYP1B1 Q16678 1/20 0.59
MCL1 Q07820 1/20 0.56
MAPT P10636 3/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
KRAS P01116 1/20 0.56
PTPN1 P18031 1/20 0.55
CXCL12 P48061 1/20 0.53
SNCA P37840 1/20 0.53
P4HB P07237 2/20 0.52
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL4464027 1.00 ESR1 (0.62) ESR1ESR2CYP1B1MCL1MAPT
SCHEMBL1224370 0.84 CYP1B1 (0.63) ESR1ESR2CYP1B1MAPTCA1
SCHEMBL362071 0.84 CYP1B1 (0.63) ESR1ESR2CYP1B1MAPTCA1
SCHEMBL15502010 0.82 CYP1B1 (0.69) ESR1ESR2CYP1B1MAPTCA1
SCHEMBL498633 0.81 ESR1 (0.62) ESR1ESR2CYP1B1CA1CA2
SCHEMBL498634 0.81 ESR1 (0.62) ESR1ESR2CYP1B1CA1CA2
SCHEMBL1659832 0.79 ESR1 (0.86) ESR1ESR2CYP1B1MAPTCA1
SCHEMBL1659833 0.79 ESR1 (0.86) ESR1ESR2CYP1B1MAPTCA1
SCHEMBL22198827 0.79 TNFRSF1A (0.83) ESR1ESR2CYP1B1MAPTPTPN1
SCHEMBL31554987 0.79 TNFRSF1A (0.83) ESR1ESR2CYP1B1MAPTPTPN1

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 15 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 claimed
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 claimed
JP-2007517841-A 2007-07-05 JP claimed
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 claimed
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 claimed
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
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-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-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
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
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 ESR1 2174/4885ESR2 1131/4885CYP1B1 5/4885

“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.