SCHEMBL1044871

SCHEMBL1044871

[CH2]CC=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
AHR P35869 1/20 0.48
PTGS1 P23219 1/20 0.48
FBP1 P09467 1/20 0.47
NQO2 P16083 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HDAC3 O15379 1/20 0.46
ADAM17 P78536 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL1044870 1.00 CYP1A2 (0.50) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL11443780 0.85 CYP1A2 (0.55) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL2095293 0.80 PTGS1 (0.50) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL2095294 0.80 PTGS1 (0.50) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL6003088 0.80 DRD2 (0.47) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790263 0.79 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790273 0.79 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL22931544 0.79 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL80465 0.79 CYP1A2 (0.55) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL1689696 0.79 CYP1A2 (0.50) CYP1A2AHRPTGS1FBP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 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 (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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 135/4885AHR 1203/4885PTGS1 1542/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 135/4885AHR 1203/4885PTGS1 1542/4885

“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.