SCHEMBL5098548

SCHEMBL5098548

CCOC(=O)COc1ccc(OCc2ccccc2)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.50
HPGD P15428 3/20 0.49
HSP90AA1 P07900 1/20 0.48
ABCB1 P08183 1/20 0.47
LMNA P02545 3/20 0.47
TUBB1 Q9H4B7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL5105539 0.90 NPC1 (0.51) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7914606 0.85 NPC1 (0.56) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5883010 0.85 PTGDR2 (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4033099 0.85 TUBB1 (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6991780 0.85 HPGD (0.49) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3643556 0.83 KDM4E (0.62) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4032216 0.82 TUBB1 (0.52) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3615463 0.82 MAOB (0.58) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2743836 0.82 LMNA (0.50) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1609857 0.82 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS BROOKS DAWN ALISA 2008-06-19 US disclosed
US-7351728-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
EP-1313715-B1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-6982278-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY (US) 2006-01-03 US disclosed
US-20050250825-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists BROOKS DAWN A 2005-11-10 US disclosed
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists BROOKS DAWN ALISA (US) 2004-02-05 US disclosed
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 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-20050250825-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists PPARA, PPARG, PPARD NPC1 1740/4885MAPK1 2679/4885RAB9A 4140/4885
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD NPC1 1810/4885MAPK1 3492/4885RAB9A 4335/4885
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARG, PPARD NPC1 1685/4885MAPK1 2444/4885RAB9A 3689/4885

“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.