SCHEMBL2091707

SCHEMBL2091707

CCCCCCCCOc1ccc(O)c(OCCCCCCCC)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
SMPD1 P17405 1/20 0.58
LTA4H P09960 1/20 0.53
CNR2 P34972 2/20 0.50
ESR1 P03372 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
PLA2G4B P0C869 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL11758938 1.00 NR5A1 (0.61) NR5A1SMPD1LTA4HCNR2ESR1
SCHEMBL9489289 0.98 NR5A1 (0.58) NR5A1SMPD1LTA4HCNR2ESR1
SCHEMBL14930188 0.95 LTA4H (0.52) NR5A1SMPD1LTA4HESR1TSHR
SCHEMBL9699819 0.90 SMPD1 (0.56) NR5A1SMPD1LTA4HCNR2ESR1
SCHEMBL8704571 0.90 SMPD1 (0.56) NR5A1SMPD1LTA4HCNR2ESR1
SCHEMBL9698459 0.90 SMPD1 (0.56) NR5A1SMPD1LTA4HCNR2ESR1
SCHEMBL14330220 0.88 SMPD1 (0.54) NR5A1SMPD1LTA4HCNR2ESR1
SCHEMBL7307668 0.87 LTA4H (0.52) NR5A1SMPD1LTA4HTP53
SCHEMBL4963128 0.86 NR5A1 (0.66) NR5A1LTA4HCNR2ESR1TSHR
SCHEMBL4963096 0.86 NR5A1 (0.66) NR5A1LTA4HCNR2ESR1TSHR

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
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NR5A1 675/4885SMPD1 4405/4885LTA4H 3093/4885

“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.