SCHEMBL2097716

SCHEMBL2097716

COc1cc(OC)cc(OC[O])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 5/20 0.44
CYP1B1 Q16678 5/20 0.44
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2E1 P05181 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP4B1 P13584 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP3A5 P20815 2/20 0.39
CYP2A7 P20853 2/20 0.39
CYP3A7 P24462 2/20 0.39
CYP2F1 P24903 2/20 0.39
CYP2C18 P33260 2/20 0.39

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
SCHEMBL2096207 0.81 LMNA (0.61) LMNAKDM4E
SCHEMBL2088640 0.79 CA1 (0.58) ALDH1A1CYP2A6
SCHEMBL2094485 0.77 CYP1A2 (0.47) ALDH1A1CYP1A1CYP1B1KMT2ACYP1A2
1,3,5-Trimethoxybenzene SCHEMBL28493 0.76 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL13074291 0.76 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1B1POLBKMT2A
SCHEMBL13485083 0.76 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1B1POLBKMT2A
SCHEMBL18699243 0.75 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL1045708 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1POLBKMT2A
SCHEMBL3166151 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1POLBKMT2A
SCHEMBL28361624 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1

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 ALDH1A1 412/4885CYP1A1 1306/4885CYP1B1 862/4885

“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.