SCHEMBL19216698

SCHEMBL19216698

CCOC(=O)CC(=O)C1(C)COC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.34
EPHX2 P34913 1/20 0.34
ACACB O00763 1/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4414359 0.82 GAA (0.56) GAAMGAMSIMGAM2ALOX15
SCHEMBL1617803 0.82 GAA (0.47) GAAMGAMSIMGAM2ALOX15
SCHEMBL19216521 0.80 GAA (0.48) GAAMGAMSIMGAM2ALOX15
SCHEMBL19216681 0.79 GAA (0.52) GAAMGAMSIMGAM2ALOX15
SCHEMBL19216683 0.76 GAA (0.48) GAAMGAMSIMGAM2ALOX15
SCHEMBL1538030 0.76 ATM (0.43) GAAMGAMSIMGAM2ALOX15
Water SCHEMBL1537978 0.75 ATM (0.42) GAAMGAMSIMGAM2ALOX15
SCHEMBL8163055 0.74 GAA (0.50) GAAMGAMSIMGAM2ALOX15
SCHEMBL13545068 0.73
Malonic Acid Diethyl Ester SCHEMBL28123496 0.73 GAA (0.75) GAAMGAMSIMGAM2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814371-B2 Heterocyclic compound MEDSHINE DISCOVERY INC. (CN) 2023-11-14 US disclosed
US-20230167098-A1 HETEROCYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
US-20230167098-A1 HETEROCYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
EP-3202766-A1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-09 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 (4 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-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR IDH1, IDH3A, IDH3B GAA 462/4885MGAM 789/4885SI 3293/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B GAA 462/4885MGAM 789/4885SI 3293/4885
US-20230167098-A1 HETEROCYCLIC COMPOUND CYP11B2, CYP4F11, CYP11B1 GAA 452/4885MGAM 3424/4885SI 271/4885
US-11814371-B2 Heterocyclic compound CYP11B2, CYP4F11, CYP11B1 GAA 452/4885MGAM 3424/4885SI 271/4885

“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.