SCHEMBL2094130

SCHEMBL2094130

CCCCCCOC(=O)c1ccoc1COC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 4/20 0.56
LMNA P02545 3/20 0.56
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL2096107 0.89 ALDH1A1 (0.51) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2094128 0.88 TSHR (0.55) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28308702 0.80 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28706598 0.80 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28902543 0.80 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28511326 0.80 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28902535 0.80 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28902553 0.79 TSHR (0.61) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28308703 0.78 ALDH1A1 (0.59) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2096104 0.76 ALDH1A1 (0.50) ALDH1A1TSHRLMNACYP3A4MAPK1

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 412/4885TSHR 162/4885LMNA 4594/4885

“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.