SCHEMBL4841384

SCHEMBL4841384

COCCC(=O)c1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GRM5 P41594 1/20 0.46
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CTSA P10619 1/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
HTR7 P34969 1/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
APEX1 P27695 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17440948 0.91 ALDH1A1 (0.44) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL15988712 0.84 ALDH1A1 (0.51) ALDH1A1HPGDGRM5CTSACYP1A2
SCHEMBL1555147 0.83 HPGD (0.45) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL17449370 0.81 HPGD (0.46) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL10127509 0.80 ALDH1A1 (0.40) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL4880259 0.80 KDM4E (0.46) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL4835374 0.79 ALDH1A1 (0.44) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL15979671 0.79 GRM5 (0.57) ALDH1A1HPGDGRM5CTSACYP1A2
SCHEMBL6564811 0.78 ALDH1A1 (0.49) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL19124692 0.77 ALDH1A1 (0.49) ALDH1A1HPGDGRM5CTSACYP1A2

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
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
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 (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-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators LIPA, PNLIP, CEL ALDH1A1 903/4885HPGD 227/4885GRM5 3072/4885

“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.