SCHEMBL6404381

SCHEMBL6404381

C=CCCC(=O)Oc1cccc(Br)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.38
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
LIG1 P18858 1/20 0.33
POLM Q9NP87 2/20 0.33
POLK Q9UBT6 2/20 0.33
POLL Q9UGP5 2/20 0.33
POLH Q9Y253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL8675067 0.80 KMT2A (0.45) KMT2AKDM4ENPC1MEN1RECQL
SCHEMBL7971606 0.76 MRGPRX4 (0.39) KMT2AKDM4ENPSR1MEN1ALDH1A1
SCHEMBL28521500 0.76 ALDH1A1 (0.49) OGG1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10513877 0.76 CYP3A4 (0.42) KMT2AKDM4ENPSR1MEN1LIG1
SCHEMBL8678126 0.76 POLM (0.54) KMT2AKDM4EMEN1RECQLPOLM
SCHEMBL5459734 0.76 TYMS (0.44) KMT2AKDM4ENPC1LIG1ALDH1A1
SCHEMBL27395153 0.76 KMT2A (0.43) KMT2AKDM4ENPC1MEN1RECQL
SCHEMBL2763295 0.75 PTGDR2 (0.49) KMT2AKDM4ENPSR1MEN1RECQL
SCHEMBL878243 0.75 LMNA (0.45) KMT2AKDM4EMEN1RECQLALDH1A1
SCHEMBL29034766 0.75 KDM4E (0.41) KMT2AKDM4EMEN1RECQLLIG1

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 OGG1 2742/4885KMT2A 1097/4885KDM4E 3766/4885

“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.