SCHEMBL5542995

SCHEMBL5542995

CCCCc1ccc2c(O)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PLAU P00749 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
CYP1A2 P05177 1/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL5540359 0.95 KAT8 (0.48) PLAUESR1KAT8PPARA
SCHEMBL14613741 0.94 KAT8 (0.50) ESR1KAT8PPARA
SCHEMBL5541800 0.90 CNR1 (0.52) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL3359160 0.82 CYP1A2 (0.53) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL10523809 0.81 KAT8 (0.50) ESR1KAT8PPARA
SCHEMBL5542991 0.80 TRPV1 (0.43) HPGDTRPV1CYP1A2
SCHEMBL5677501 0.80 NPC1 (0.49) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL22288362 0.79 CYP1A2 (0.51) TRPV1CYP1A2PTPN1
SCHEMBL22644829 0.79 PLAU (0.46) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL13496276 0.78 PLAU (0.42) PLAUHSD17B1HSD17B2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2557103-B1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2014-11-26 EP disclosed
US-8519065-B2 Epoxy compound, curable composition, and cured product thereof DIC CORPORATION (JP) 2013-08-27 US disclosed
US-20130144030-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DIC CORPORATION (JP) 2013-06-06 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-2557103-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DIC Corporation (JP) 2013-02-13 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 (2 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 NPC1 2404/4885HPGD 3159/4885MAPK1 1392/4885
US-20130144030-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF HEATR1, EEF1A1, EPN1 NPC1 3746/4885HPGD 1236/4885MAPK1 2827/4885

“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.