SCHEMBL1045709

SCHEMBL1045709

CC(CCC[O])c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CACNA1B Q00975 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
AOC3 Q16853 1/20 0.34
DAO P14920 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9278852 0.82 HTR7 (0.40) ALDH1A1HPGD
SCHEMBL12243769 0.82 AOC3 (0.39) HTTCACNA1BAOC3LMNA
SCHEMBL9232425 0.82 HTR7 (0.40) ALDH1A1HPGD
SCHEMBL1044613 0.80 ADRB2 (0.43) CA1CA2POLBAOC3HPGD
SCHEMBL19022074 0.80 HTR2A (0.41) AOC3
SCHEMBL8217828 0.80 HTR7 (0.39) ALDH1A1HPGD
SCHEMBL1045711 0.80 TRPA1 (0.40) HTTCACNA1BALDH1A1KDM4EPOLB
SCHEMBL1046531 0.80 ALOX5 (0.41)
SCHEMBL22649183 0.80 HTR7 (0.39) ALDH1A1HPGD
SCHEMBL3756197 0.80 CACNA1B (0.35) HTTCA1CA2CACNA1BAOC3

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 4 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

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 HTT 4372/4885CA1 4506/4885CA2 3091/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTT 4372/4885CA1 4506/4885CA2 3091/4885

“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.