SCHEMBL12697262

SCHEMBL12697262

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 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 0.85 ALDH1A1 (0.40) ALDH1A1HTTL3MBTL1SMN1; SMN2NPC1
SCHEMBL12697265 0.85 ALDH1A1 (0.40) ALDH1A1HTTL3MBTL1SMN1; SMN2NPC1
SCHEMBL16699597 0.83 ALDH1A1 (0.46) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL7973185 0.83 MEN1 (0.49) ALDH1A1HTTL3MBTL1SMN1; SMN2MEN1
SCHEMBL7973187 0.83 MEN1 (0.49) ALDH1A1HTTL3MBTL1SMN1; SMN2MEN1
SCHEMBL26580348 0.83 ALDH1A1 (0.46) ALDH1A1HTTL3MBTL1GAAMEN1
SCHEMBL30707625 0.82 ALDH1A1 (0.59) ALDH1A1HTTL3MBTL1SMN1; SMN2NPC1
SCHEMBL16700405 0.82 GAA (0.47) ALDH1A1HTTL3MBTL1SMN1; SMN2NPC1
SCHEMBL12613037 0.78 BCHE (0.42) ALDH1A1HTTL3MBTL1GAAMEN1
SCHEMBL14720765 0.78 KMT2A (0.38) ALDH1A1HTTSMN1; SMN2NPC1RAB9A

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.