SCHEMBL2095115

SCHEMBL2095115

CCCCCCC1CCC(CCCCCC)c2cc(COC)ccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HTR2A P28223 1/20 0.36
LYPLA1 O75608 1/20 0.35
LYPLA2 O95372 1/20 0.35
ABHD16A O95870 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
TRPV1 Q8NER1 2/20 0.34
CYP19A1 P11511 2/20 0.33
HTR1A P08908 3/20 0.33
DRD2 P14416 3/20 0.33
DRD1 P21728 3/20 0.33
DRD4 P21917 3/20 0.33
DRD5 P21918 3/20 0.33
DRD3 P35462 3/20 0.33

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
SCHEMBL2094876 0.82 SPHK1 (0.37) ESR1SPHK1DRD2DRD3
SCHEMBL2099100 0.81 SIGMAR1 (0.47) ESR1ESR2
SCHEMBL29117075 0.74 CYSLTR2 (0.44)
SCHEMBL11132654 0.71 SPHK1 (0.50) ESR2SPHK1
SCHEMBL21322047 0.70 SPHK1 (0.48) ESR2SPHK1
SCHEMBL19895392 0.68 CYSLTR2 (0.40) DRD2
SCHEMBL19732916 0.68 CYSLTR2 (0.40) DRD2
SCHEMBL14402481 0.67 LPL (0.54) ESR1
SCHEMBL29117072 0.66 CES2 (0.37) HTR2ASPHK1DRD2
SCHEMBL8750594 0.66 PTGS2 (0.64) ESR1HTR2ASPHK1TRPV1

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 3 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

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 ESR1 1871/4885ESR2 338/4885HTR2A 3100/4885

“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.