SCHEMBL2873180

SCHEMBL2873180

CCCCCCCCCCCCCCCc1cc(Oc2ccc(Br)cc2)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
LTA4H P09960 4/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX5 P09917 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL13324440 0.90 LTA4H (0.51) LTA4HTSHRMAPTKMT2AHTT
SCHEMBL14355888 0.88 MGLL (0.40) MGLLLTA4HTSHRMAPTMEN1
SCHEMBL27574849 0.82 TYR (0.44) TSHRMAPTMEN1KMT2AALOX5
SCHEMBL10989216 0.79 ALOX5 (0.49) LTA4HTSHRMAPTMEN1KMT2A
SCHEMBL12440889 0.77 TYR (0.43) TSHRMAPTMEN1KMT2AALOX5
SCHEMBL9181590 0.77 ALOX5 (0.47) LTA4HTSHRMAPTMEN1KMT2A
SCHEMBL27480325 0.76 ERBB2 (0.44)
SCHEMBL11809248 0.75 TYR (0.41) TSHRMAPTMEN1KMT2AALOX5
SCHEMBL30645662 0.75 TYR (0.41) TSHRMAPTMEN1KMT2AALOX5
SCHEMBL9567255 0.74 TYR (0.53) LTA4HTSHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3093302-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED RUBBER COMPOSITION CONTAINING SAME, AND METHOD FOR PREPARING MODIFIED CONJUGATED DIENE-BASED POLYMER LG CHEMICAL LTD (KR) 2019-10-09 EP claimed
EP-1994036-B1 NOVEL DICARBANIONIC INITIATOR, A PROCESS FOR THE PREPARATION AND USE THEREOF COUNCIL SCIENT IND RES (IN) 2010-12-22 EP claimed
EP-1868978-B1 NOVEL 1-BROMO-4- (4'-BROMOPHENOXY)-2-PENTADECYL BENZENE AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-10-20 EP claimed
EP-1868978-B1 NOVEL 1-BROMO-4- (4'-BROMOPHENOXY)-2-PENTADECYL BENZENE AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-10-20 EP disclosed
US-7709687-B2 Dicarbanionic initiator, a process for the preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-04 US disclosed
EP-1868978-A1 NOVEL 1-BROMO-4- (4'-BROMOPHENOXY)-2-PENTADECYL BENZENE AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-12-26 EP disclosed
EP-1868978-A1 NOVEL 1-BROMO-4- (4'-BROMOPHENOXY)-2-PENTADECYL BENZENE AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-12-26 EP disclosed
US-7297822-B2 1-bromo-4-(4′-bromophenoxy)-2-pentadecyl benzene and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-11-20 US disclosed
US-7297822-B2 1-bromo-4-(4′-bromophenoxy)-2-pentadecyl benzene and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-11-20 US disclosed
US-20070197723-A1 NOVEL DICARBANIONIC INITIATOR, A PROCESS FOR THE PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2007-08-23 US disclosed
US-20060264680-A1 Novel 1-bromo-4-(4'-bromophenoxy)-2-pentadecyl benzene and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-11-23 US disclosed
WO-2006103694-A1 NOVEL 1-BROMO-4- (4'-BROMOPHENOXY)-2-PENTADECYL BENZENE AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 WO disclosed
WO-2006103694-A1 NOVEL 1-BROMO-4- (4'-BROMOPHENOXY)-2-PENTADECYL BENZENE AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 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-20060264680-A1 Novel 1-bromo-4-(4'-bromophenoxy)-2-pentadecyl benzene and preparation thereof BRD4, BRD2, BRD1 MGLL 104/4885LTA4H 833/4885TSHR 4681/4885

“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.