SCHEMBL23666152

SCHEMBL23666152

CCOC(=O)CC(CC(C)C)n1cccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.36
ALDH1A1 P00352 7/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 3/20 0.34
PDE4A P27815 1/20 0.33
TSHR P16473 2/20 0.33
TNF P01375 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FDPS P14324 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL23666059 0.87 NLRP3 (0.38) NLRP3ALDH1A1HPGDHSD17B10LMNA
SCHEMBL23666150 0.86 MEN1 (0.38) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL26444558 0.84 NLRP3 (0.36) NLRP3ALDH1A1HPGDHSD17B10LMNA
SCHEMBL17869461 0.82 MEN1 (0.42) NLRP3ALDH1A1HPGDHSD17B10LMNA
SCHEMBL26444499 0.81 CACNA2D1 (0.36) MEN1KMT2AFDPSHTT
SCHEMBL24900643 0.80 ALDH1A1 (0.36) NLRP3ALDH1A1HPGDHSD17B10LMNA
SCHEMBL23666065 0.79 ALDH1A1 (0.35) NLRP3ALDH1A1HPGDHSD17B10LMNA
SCHEMBL23660686 0.76 ALDH1A1 (0.38) NLRP3ALDH1A1HPGDHSD17B10LMNA
SCHEMBL4083681 0.74 NLRP3 (0.40) NLRP3ALDH1A1HPGDHSD17B10LMNA
SCHEMBL3138975 0.74 NLRP3 (0.40) NLRP3ALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128062-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-04-27 US disclosed
US-20230128062-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-04-27 US disclosed
WO-2021143801-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2021-07-22 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-20230128062-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP4A11, CYP51A1, CYP4F11 NLRP3 1531/4885ALDH1A1 262/4885HPGD 268/4885

“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.