SCHEMBL2875381

SCHEMBL2875381

O=C(O)Cc1cccc(Br)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.52
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 3/20 0.45
ABCB11 O95342 2/20 0.45
PTGS1 P23219 2/20 0.45
LMNA P02545 1/20 0.45
ADORA1 P30542 1/20 0.45
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL29674787 0.83 AKR1B1 (0.61) AKR1B1TDP1PTGS2KDM4ECYP1A2
SCHEMBL286410 0.83 AKR1B1 (0.61) AKR1B1TDP1PTGS2KDM4ECYP1A2
SCHEMBL30565097 0.83 AKR1B1 (0.61) AKR1B1TDP1PTGS2KDM4ECYP1A2
SCHEMBL29049638 0.82 GABRA1 (0.45) MAPTGABRA1GABRB2
SCHEMBL14530966 0.82 AKR1B1 (0.67) AKR1B1TDP1PTGS2ABCB11PTGS1
SCHEMBL11028284 0.82 GABRA1 (0.40) TDP1GABRA1GABRB2
SCHEMBL28784843 0.82 AKR1B1 (0.50) AKR1B1TDP1PTGS2ABCB11PTGS1
SCHEMBL2730028 0.82 AKR1B1 (0.55) AKR1B1TDP1PTGS2ABCB11PTGS1
SCHEMBL1364609 0.82 GABRA1 (0.68) AKR1B1TDP1PTGS2ABCB11PTGS1
Hydrochloric Acid SCHEMBL2532034 0.81 AKR1B1 (0.59) AKR1B1TDP1PTGS2KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490322-B1 METHOD FOR PRODUCING 2,2-DICHLORO OR DIBROMO-PHENYL ALKYL ACETATES DSM FINE CHEM AUSTRIA GMBH (AT) 2015-07-29 EP claimed
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 claimed
EP-0975583-B1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES MERIAL LTD (US) 2010-10-20 EP 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-6555709-B1 Derivatives of 4-(naphth-2-ylmethyl)-N-(2-methylphenyl) benzamide; storing crops (cotton and rice); insecticides; miticides; nematocides; molluscs; anthelmintics; acarina; textiles; foods HOECHST SCHERING AGREVO S.A. (FR) 2003-04-29 US disclosed
EP-0975583-A1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 2000-02-02 EP disclosed
WO-1998045252-A1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1998-10-15 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 AKR1B1 17/4885TDP1 2540/4885PTGS2 2424/4885

“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.