SCHEMBL4835374

SCHEMBL4835374

CCCCC(=O)c1cccc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
GRM5 P41594 1/20 0.43
FAAH O00519 2/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B3 P37058 2/20 0.42
HTR7 P34969 1/20 0.41
CYP1A2 P05177 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
RAB9A P51151 1/20 0.37
PLA2G4A P47712 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29316552 0.94 MEN1 (0.51) ALDH1A1FAAHHTTMEN1MAPT
SCHEMBL17449370 0.90 HPGD (0.46) ALDH1A1HPGDGRM5FAAHKMT2A
SCHEMBL25335332 0.88 MEN1 (0.49) ALDH1A1FAAHHTTMEN1MAPT
SCHEMBL15988712 0.86 ALDH1A1 (0.51) ALDH1A1HPGDGRM5KMT2ACYP1A2
SCHEMBL19124692 0.85 ALDH1A1 (0.49) ALDH1A1HPGDGRM5MAPTKMT2A
SCHEMBL17440948 0.83 ALDH1A1 (0.44) ALDH1A1HPGDGRM5HTTMEN1
SCHEMBL6564811 0.82 ALDH1A1 (0.49) ALDH1A1HPGDGRM5MAPTKMT2A
SCHEMBL4880259 0.81 KDM4E (0.46) ALDH1A1HPGDGRM5KMT2ACYP1A2
SCHEMBL13921495 0.81 MEN1 (0.59) ALDH1A1FAAHHTTMEN1MAPT
SCHEMBL23987806 0.80 ALDH1A1 (0.38) ALDH1A1HPGDGRM5HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1513526-B1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2007-11-07 EP disclosed
EP-1513526-B1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2007-11-07 EP disclosed
US-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2006-04-27 US disclosed
EP-1513526-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000315-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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 (3 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-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3021/4885HPGD 4658/4885GRM5 2209/4885
US-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators LIPA, PNLIP, CEL ALDH1A1 903/4885HPGD 227/4885GRM5 3072/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 ALDH1A1 3021/4885HPGD 4658/4885GRM5 2209/4885

“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.