SCHEMBL879067

SCHEMBL879067

COC(=O)C(C)C(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 4/20 0.40
CA14 Q9ULX7 2/20 0.38
CA12 O43570 1/20 0.35
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
TSHR P16473 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL29066150 0.82
SCHEMBL9457204 0.78 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ACA14CA12KEAP1
SCHEMBL784551 0.78 SMN1; SMN2 (0.52) SMN1; SMN2KMT2ACA14CA12KEAP1
SCHEMBL13946795 0.78 SMN1; SMN2 (0.52) SMN1; SMN2KMT2ACA14CA12KEAP1
SCHEMBL13167082 0.78 CYP3A4 (0.33) SMN1; SMN2KMT2ACA14
SCHEMBL9040312 0.76 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ACA14CA12MMP2
SCHEMBL7277049 0.76 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ACA14CA12MMP2
SCHEMBL17755872 0.75 GAA (0.44) SMN1; SMN2KMT2ACA14CA12MEN1
SCHEMBL11689662 0.75 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ACA14CA12ALDH1A1
SCHEMBL222114 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
EP-1273970-B1 Positive photosensitive composition FUJIFILM CORP (JP) 2012-03-28 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 SMN1; SMN2 3840/4885KMT2A 2409/4885CA14 1025/4885

“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.