SCHEMBL2096205

SCHEMBL2096205

CC(C)(C)Oc1ccc(Oc2cccc(-c3ccccc3O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PTPN5 P54829 1/20 0.40
ESR2 Q92731 1/20 0.40
GSTP1 P09211 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
COMT P21964 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37

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
SCHEMBL2095783 0.83 PTPN5 (0.44) ALDH1A1HPGDBCL2L1HSD17B10PTPN5
SCHEMBL2096204 0.83 GSTP1 (0.41) ALDH1A1HPGDGSTP1NPSR1MAPT
SCHEMBL2097294 0.80 PNLIP (0.48) ALDH1A1HPGDBCL2L1HSD17B10PTPN5
SCHEMBL2090977 0.78 THRA (0.50) ALDH1A1HPGDBCL2L1HSD17B10PTPN5
SCHEMBL27630415 0.76 P2RX3 (0.46) ALDH1A1HPGDBCL2L1HSD17B10GSTP1
SCHEMBL2097501 0.76 HDAC4 (0.43) ALDH1A1CNR1CNR2PTPN5MAPT
SCHEMBL3362978 0.75 HDAC4 (0.62) ALDH1A1HPGDBCL2L1HSD17B10CNR1
2-Phenylphenol SCHEMBL11403217 0.74 ALDH1A1 (0.74) ALDH1A1HPGDBCL2L1HSD17B10ESR2
SCHEMBL2733315 0.74 LTA4H (0.57) ALDH1A1TSHRL3MBTL1MEN1KMT2A
Catechol SCHEMBL28181589 0.74 MAPT (0.48) ALDH1A1HPGDHSD17B10MAPTTSHR

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 5 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 412/4885HPGD 1951/4885BCL2L1 2201/4885

“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.