SCHEMBL5206499

SCHEMBL5206499

[c]1nocc1-c1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
MAOB P27338 4/20 0.44
MAOA P21397 3/20 0.44
ADRA2A P08913 2/20 0.43
METAP2 P50579 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GRM4 Q14833 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
ALOX5 P09917 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40

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
SCHEMBL3766008 0.73 ADRA2A (0.50) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL103158 0.73 MAOB (0.63) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL30036439 0.73 MAOB (0.63) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL17502945 0.72 NPC1 (0.43) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL712885 0.72 MAOB (0.49) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL30561833 0.70 MAOB (0.55) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL2150499 0.69 MAOB (0.59) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL4810005 0.69 MAOB (0.46) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL5582544 0.68 NPC1 (0.53) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL7909606 0.68 NPC1 (0.45) NPC1RAB9AMAPTMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP disclosed
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 NPC1 1199/4885RAB9A 3800/4885MAPT 2863/4885

“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.