SCHEMBL2096792

SCHEMBL2096792

CCCCCOc1ccc2ccc(C)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 2/20 0.48
NR5A1 Q13285 1/20 0.47
THRA P10827 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 1/20 0.46
LTA4H P09960 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL14231934 0.96 NR5A1 (0.50) CYP1A2CYP2A6NR5A1THRACA12
SCHEMBL10587827 0.95 NR5A1 (0.53) CYP1A2CYP2A6NR5A1THRACA12
SCHEMBL12937308 0.95 NR5A1 (0.53) CYP1A2CYP2A6NR5A1THRACA12
SCHEMBL14926495 0.95 NR5A1 (0.53) CYP1A2CYP2A6NR5A1THRACA12
SCHEMBL12749012 0.93 CYP2A6 (0.52) CYP1A2CYP2A6THRACA12CA1
SCHEMBL11014643 0.89 CYP2A6 (0.52) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL17018215 0.89 NR5A1 (0.58) NR5A1THRACA12CA1CA2
SCHEMBL17162145 0.89 NR5A1 (0.58) NR5A1THRACA12CA1CA2
Ammonia Solution, Strong SCHEMBL27937862 0.88 CYP2A6 (0.50) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL12405209 0.87 NR5A1 (0.46) NR5A1THRACA12CA1CA2

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 CYP1A2 420/4885CYP2A6 1153/4885NR5A1 675/4885

“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.