SCHEMBL6404376

SCHEMBL6404376

C=CCOC(=O)Cc1cccc(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
APP P05067 1/20 0.35
PTP4A3 O75365 1/20 0.34
PTP4A1 Q93096 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 1/20 0.34
RHOA P61586 1/20 0.33
LIG1 P18858 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL3266396 0.88 CYP3A4 (0.49) CYP3A4NPSR1PKMSMN1; SMN2TSHR
SCHEMBL2420372 0.80 PKM (0.47) PKMTSHRALDH1A1HSD17B10KMT2A
SCHEMBL3570137 0.77 MAPT (0.45) CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1
SCHEMBL2417816 0.77 ALDH1A1 (0.41) PKMSMN1; SMN2TSHRALDH1A1HSD17B10
SCHEMBL31290664 0.76 CYP3A4 (0.50) CYP3A4NPSR1PKMSMN1; SMN2TSHR
SCHEMBL28521498 0.76 TDP1 (0.54) CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1
SCHEMBL29161510 0.75 TSHR (0.51) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8973261 0.75 ALDH1A1 (0.58) CYP3A4NPSR1PKMSMN1; SMN2TSHR
SCHEMBL10385060 0.75 CYP3A4 (0.67) CYP3A4NPSR1PKMSMN1; SMN2TSHR
SCHEMBL878244 0.75 CYP3A4 (0.49) CYP3A4NPSR1PKMSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100516015-C Process for preparing alkyl 2, 2-dichloro-or dibromophenylacetates DSM FINE CHEM AUSTRIA GMBH (AT) 2009-07-22 CN disclosed
CN-100516015-C Process for preparing alkyl 2, 2-dichloro-or dibromophenylacetates DSM FINE CHEM AUSTRIA GMBH (AT) 2009-07-22 CN disclosed
CN-1642898-A Method for producing 2,2-dichloro or dibromo-phenyl alkyl acetates DSM FINE CHEM AUSTRIA GMBH (AT) 2005-07-20 CN disclosed
CN-1642898-A Method for producing 2,2-dichloro or dibromo-phenyl alkyl acetates DSM FINE CHEM AUSTRIA GMBH (AT) 2005-07-20 CN disclosed
US-20050131246-A1 Method for producing 2,2-dichloro or dibromo-phenyl alkyl acetates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-06-16 US disclosed
US-20050131246-A1 Method for producing 2,2-dichloro or dibromo-phenyl alkyl acetates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-06-16 US disclosed
EP-1490322-A1 METHOD FOR PRODUCING 2,2-DICHLORO OR DIBROMO-PHENYL ALKYL ACETATES DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-12-29 EP disclosed
WO-2003084918-A1 METHOD FOR PRODUCING 2,2-DICHLORO OR DIBROMO-PHENYL ALKYL ACETATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2003-10-16 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-20050131246-A1 Method for producing 2,2-dichloro or dibromo-phenyl alkyl acetates CBR1, CBR3, ADH1C CYP3A4 291/4885NPSR1 936/4885PKM 1447/4885

“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.