SCHEMBL2098032

SCHEMBL2098032

CCCCOc1ccc(Oc2ccc(-c3cccc(O)c3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.63
FFAR4 Q5NUL3 3/20 0.53
FFAR1 O14842 2/20 0.53
CYP3A4 P08684 3/20 0.52
HSD17B1 P14061 3/20 0.52
HSD17B2 P37059 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2D6 P10635 2/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR5A1 Q13285 1/20 0.50
GPR84 Q9NQS5 1/20 0.49
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
KDR P35968 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
SCHEMBL17547129 0.86 LTA4H (0.64) LTA4HCYP3A4HSD17B1HSD17B2CYP2C9
SCHEMBL4677364 0.83 HSD17B1 (0.74) CYP3A4HSD17B1HSD17B2CYP2C9CYP2D6
SCHEMBL30956050 0.83 HSD17B1 (0.53) FFAR4FFAR1CYP3A4HSD17B1HSD17B2
SCHEMBL30387666 0.83 HSD17B1 (0.57) FFAR4FFAR1CYP3A4HSD17B1HSD17B2
SCHEMBL21359337 0.82 HSD17B1 (0.61) LTA4HCYP3A4HSD17B1HSD17B2CYP2C9
SCHEMBL7346114 0.82 HSD17B1 (0.61) FFAR4FFAR1CYP3A4HSD17B1HSD17B2
SCHEMBL2098031 0.82 LTA4H (0.56) LTA4HFFAR4FFAR1CYP3A4CYP2C9
SCHEMBL17081783 0.80 GPR84 (0.60) LTA4HCYP3A4CYP2C9CYP2D6CYP19A1
SCHEMBL4674827 0.80 HSD17B1 (0.76) LTA4HCYP3A4HSD17B1HSD17B2CYP2C9
SCHEMBL8395055 0.80 NPC1 (0.53) LTA4HCYP3A4HSD17B1HSD17B2CYP2C9

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 LTA4H 3093/4885FFAR4 141/4885FFAR1 58/4885

“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.