SCHEMBL2087935

SCHEMBL2087935

COc1cccc(-c2cc(OC)c(OC)cc2OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2E1 P05181 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C8 P10632 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2A6 P11509 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP4B1 P13584 2/20 0.65
CYP2B6 P20813 2/20 0.65
CYP3A5 P20815 2/20 0.65
CYP2A7 P20853 2/20 0.65
CYP3A7 P24462 2/20 0.65
CYP2F1 P24903 2/20 0.65
CYP2C18 P33260 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP2J2 P51589 2/20 0.65
CYP4F2 P78329 2/20 0.65
CYP4F8 P98187 2/20 0.65
CYP4A11 Q02928 2/20 0.65

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
SCHEMBL30112655 0.96 CYP3A4 (0.69) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2087932 0.87 CYP1A1 (0.50) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
Hydrochloric Acid SCHEMBL3804779 0.83 CYP1A1 (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5849737 0.81 CYP1A1 (0.65) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL4925801 0.80 CYP1A1 (0.69) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL7875685 0.80 ACHE (0.55) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL30728871 0.80 ACHE (0.55) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6404699 0.80 ERN1 (0.59) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL8501358 0.79 PGR (0.53) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2020140 0.79 ABL1 (0.59) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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 CYP1A1 1306/4885CYP1A2 420/4885CYP2E1 1365/4885

“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.