SCHEMBL2091770

SCHEMBL2091770

CCCCOc1ccc(OCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.61
▸ NR5A1 Q13285 1/20 0.61
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ PLA2G4B P0C869 1/20 0.52

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
Alcohol SCHEMBL28398877 0.90 LTA4H (0.65) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL26850 0.87 LTA4H (0.70) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL15162229 0.86 NR1I2 (0.64) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL8298166 0.86 LTA4H (0.61) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL4241629 0.84 NR5A1 (0.64) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL2092609 0.83 ALDH1A1 (0.57) LTA4HCYP3A4TP53CA1CA2
1-Butyloxy-4-Propoxybenzene SCHEMBL23828869 0.82 LTA4H (0.64) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL3727389 0.82 NR5A1 (0.75) LTA4HNR5A1CYP3A4CYP2D6TSHR
1-Butyloxy-4-Pentoxybenzene SCHEMBL12827001 0.82 NR5A1 (0.75) LTA4HNR5A1CYP3A4CYP2D6TSHR
1,4-Dipropoxybenzene SCHEMBL10846150 0.82 LTA4H (0.64) LTA4HNR5A1CYP3A4CYP2D6TSHR

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 LTA4H 3093/4885NR5A1 675/4885CYP3A4 1734/4885

“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.

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