SCHEMBL23896804

SCHEMBL23896804

CCOC(=O)CC1(O)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ELANE P08246 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MMP9 P14780 1/20 0.36
TRPA1 O75762 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL8264963 0.85 CYP2C19 (0.50) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL380983 0.85 GAA (0.48) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL12462590 0.84 KMT2A (0.45) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL867537 0.83 CYP2C19 (0.53) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL17048702 0.82 KMT2A (0.47) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL1186304 0.81 CYP2C19 (0.46) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL7296150 0.77 CYP2C19 (0.37) CYP2C19LMNAMMP9
SCHEMBL10815461 0.77 L3MBTL1 (0.37) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL2085077 0.76 TSHR (0.44) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL4113341 0.76 OPRM1 (0.43) KMT2AL3MBTL1GAAMGAMSI

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
CN-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 CN disclosed
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
WO-2021203014-A1 PYRANO[4,3-B]L NDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
CN-112778183-A Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2021-05-11 CN 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-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 KMT2A 4356/4885L3MBTL1 2499/4885GAA 1233/4885

“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.