SCHEMBL12004348

SCHEMBL12004348

Cc1[c]c(C)nc(OCCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
IKBKB O14920 2/20 0.39
ACSS2 Q9NR19 1/20 0.33
LTB4R Q15722 2/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12003846 0.91 THRB (0.49) THRBKMT2AIKBKBACSS2LTB4R
SCHEMBL12004395 0.79 VDR (0.33) THRBKMT2ALTB4R
SCHEMBL12003989 0.79 ALOX5 (0.35) THRBKMT2ALTB4RPTGESALOX5
SCHEMBL12004151 0.77 VDR (0.32)
SCHEMBL12004064 0.76 CYP1A2 (0.41) KMT2ALMNA
SCHEMBL12004130 0.76 NUDT1 (0.42)
SCHEMBL9934908 0.74 IKBKB (0.31) THRBKMT2AIKBKB
SCHEMBL12003957 0.72 TP53 (0.42) ALDH1A1LMNA
SCHEMBL22930422 0.69 NUDT1 (0.60) THRBKMT2AIKBKBALDH1A1LMNA
SCHEMBL10767683 0.67 KMT2A (0.53) THRBKMT2AIKBKBALDH1A1LMNA

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-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 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-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 THRB 272/4885KMT2A 3915/4885IKBKB 695/4885

“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.