SCHEMBL5204610

SCHEMBL5204610

CCOC(=O)C(C)Oc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
PTPN7 P35236 1/20 0.48
NR5A1 Q13285 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL11713129 0.87 RAB9A (0.52) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL28960849 0.85 LMNA (0.61) RAB9ACYP3A4LMNAMAPTKDM4E
SCHEMBL10740536 0.83 RAB9A (0.51) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL12053329 0.78 CYP3A4 (0.55) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL9554755 0.78 ALDH2 (0.50) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL9294459 0.78 NPC1 (0.46) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL10651222 0.78 LMNA (0.42) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL5789487 0.77 LMNA (0.58) LMNAL3MBTL1MAPTKDM4EHPGD
SCHEMBL5789486 0.77 LMNA (0.58) LMNAL3MBTL1MAPTKDM4EHPGD
SCHEMBL4758947 0.77 LMNA (0.65) RAB9ANPC1CYP3A4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313717-B1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-10-17 EP disclosed
US-7176224-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2007-02-13 US disclosed
US-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 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-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARD, PPARG RAB9A 3800/4885NPC1 1199/4885CYP3A4 226/4885

“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.