SCHEMBL20980883

SCHEMBL20980883

O=C(O)C1CCN(C(=O)N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
AKR1C3 P42330 1/20 0.51
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.46
CA2 P00918 1/20 0.45
CHKA P35790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
HSD11B1 P28845 1/20 0.44
RAB9A P51151 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL16052055 0.98 ALDH1A1 (0.58) ALDH1A1AKR1C3LMNAHPGDCA2
SCHEMBL20827449 0.86 LMNA (0.48) ALDH1A1AKR1C3LMNAHPGDL3MBTL1
SCHEMBL7354123 0.80 LMNA (0.47) ALDH1A1AKR1C3LMNAHPGDL3MBTL1
SCHEMBL4797315 0.79 HPGD (0.50) ALDH1A1LMNAHPGDL3MBTL1MAPT
SCHEMBL28026037 0.79 NOTUM (0.46) ALDH1A1AKR1C3LMNAL3MBTL1MAPT
SCHEMBL18855830 0.79 ALDH1A1 (0.64) ALDH1A1AKR1C3LMNAHPGDCA2
SCHEMBL587681 0.78 LMNA (0.53) ALDH1A1AKR1C3LMNAL3MBTL1MAPT
SCHEMBL2946268 0.77 HPGD (0.78) ALDH1A1LMNAHPGDHSD11B1
SCHEMBL2946264 0.77 HPGD (0.78) ALDH1A1LMNAHPGDHSD11B1
SCHEMBL413020 0.77 ALDH1A1 (0.87) ALDH1A1AKR1C3LMNAHPGDCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-04-20 US disclosed
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-05-09 US 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-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CASP1, CASP14, CASP2 ALDH1A1 2870/4885AKR1C3 2653/4885LMNA 215/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 ALDH1A1 2870/4885AKR1C3 2653/4885LMNA 215/4885

“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.