SCHEMBL4839769

SCHEMBL4839769

COc1cc(C=O)cc(Cl)c1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
CYP1A2 P05177 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 2/20 0.52
MCL1 Q07820 1/20 0.52
POLB P06746 2/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
ACP1 P24666 1/20 0.50
ADCYAP1R1 P41586 1/20 0.50

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
SCHEMBL30821655 0.90 SMN1; SMN2 (0.51) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL6781405 0.90 SMN1; SMN2 (0.51) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL2879297 0.90 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL16055528 0.88 KMT2A (0.62) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL6444060 0.87 PDCD1 (0.56) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL30141008 0.87 PDCD1 (0.56) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL17133100 0.87 MAOB (0.54) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL4293786 0.87 MAOA (0.55) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL29957642 0.86 ALDH1A1 (0.71) ALDH1A1MAPTSMN1; SMN2CYP1A2L3MBTL1
SCHEMBL2560378 0.86 PTPN2 (0.65) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1

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
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
US-3976695-A Halogen substituted α-(aminoalkyl)-3,4-dihydroxybenzyl alcohols SMITHKLINE CORPORATION (US) 1976-08-24 US 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 903/4885MAPT 4115/4885SMN1; SMN2 3970/4885

“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.