SCHEMBL12697265

SCHEMBL12697265

CCOC(=O)C1CC(O)(c2ccc(/C=N/O)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 2/20 0.37
MIF P14174 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL12613846 1.00 ALDH1A1 (0.40) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL12697262 0.85 ALDH1A1 (0.43) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL7973185 0.80 MEN1 (0.49) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL26580348 0.80 ALDH1A1 (0.46) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL16699597 0.80 ALDH1A1 (0.46) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL7973187 0.80 MEN1 (0.49) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL27939252 0.79 KMT2A (0.46) ALDH1A1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL30707625 0.79 ALDH1A1 (0.59) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL16700405 0.79 GAA (0.47) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL12613037 0.75 BCHE (0.42) ALDH1A1HTTL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061013-B2 Isoxazoline derivatives as antiparasitic agents ZOETIS LLC (US) 2015-06-23 US disclosed
US-9061013-B2 Isoxazoline derivatives as antiparasitic agents ZOETIS LLC (US) 2015-06-23 US disclosed
US-20140011758-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2014-01-09 US disclosed
US-20140011758-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2014-01-09 US disclosed
WO-2012127347-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-09-27 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 (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-20140011758-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS CYP3A7, CYP2W1, CYP2A7 ALDH1A1 276/4885HTT 2609/4885L3MBTL1 2119/4885

“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.