SCHEMBL21722174

SCHEMBL21722174

CCOC(=O)CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
SRC P12931 8/20 0.39
NR1H2 P55055 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KAT7 O95251 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ADORA1 P30542 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
SCHEMBL3897900 0.92 SRC (0.38) PARP1SRCNR1H2ALDH1A1MEN1
SCHEMBL6730882 0.87 ALDH1A1 (0.40) PARP1NR1H2ALDH1A1MEN1MAPT
SCHEMBL1183758 0.86 NR1H2 (0.40) PARP1NR1H2ALDH1A1MEN1MAPT
SCHEMBL4844477 0.85 ALDH1A1 (0.39) PARP1NR1H2ALDH1A1MEN1MAPT
SCHEMBL4844805 0.83 NR1H2 (0.42) PARP1NR1H2ALDH1A1MEN1MAPT
SCHEMBL21193443 0.83 NR1H2 (0.42) PARP1NR1H2ALDH1A1MEN1MAPT
SCHEMBL18286688 0.83 NR1H2 (0.42) PARP1NR1H2ALDH1A1MEN1MAPT
SCHEMBL6231381 0.83 NR1H2 (0.42) PARP1NR1H2ALDH1A1MEN1MAPT
SCHEMBL29496240 0.83 MEN1 (0.40) SRCALDH1A1MEN1KMT2A
SCHEMBL24449830 0.83 PARP1 (0.50) PARP1NR1H2ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
EP-3746436-A1 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-12-09 EP disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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 (2 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS PARP1 2914/4885SRC 551/4885NR1H2 431/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS PARP1 2914/4885SRC 551/4885NR1H2 431/4885

“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.