SCHEMBL5534909

SCHEMBL5534909

O=[C]OCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
MMP12 P39900 6/20 0.45
MMP13 P45452 4/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KCNH2 Q12809 1/20 0.41
FDFT1 P37268 2/20 0.40
HDAC2 Q92769 1/20 0.40
NAAA Q02083 1/20 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
SCHEMBL5542769 0.89 FFAR1 (0.46) FFAR1MMP12MMP13MMP2MMP9
SCHEMBL26582 0.88 CA1 (0.48) FFAR1IDO1LMNATSHRTAAR1
SCHEMBL5542117 0.87 HDAC2 (0.47) FFAR1MMP12MMP13MMP2MMP9
SCHEMBL5541714 0.86 HDAC2 (0.49) FFAR1FDFT1HDAC2
SCHEMBL5541302 0.86 HDAC2 (0.49) FFAR1FDFT1HDAC2
SCHEMBL5543943 0.84 AGXT (0.47) FFAR1AGXTNAAA
SCHEMBL5535267 0.80 FFAR1 (0.61) FFAR1
SCHEMBL131471 0.80 IDO1 (0.55) FFAR1IDO1AGXTABCC4LMNA
SCHEMBL5543890 0.78 FFAR1 (0.58) FFAR1LMNAPTGS1
SCHEMBL5544629 0.76 GFER (0.52) TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409765-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2021-08-04 EP claimed
EP-3409765-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2018-12-05 EP claimed
EP-2446025-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2018-08-08 EP claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 FFAR1 105/4885MMP12 3197/4885MMP13 4355/4885

“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.