SCHEMBL6831429

SCHEMBL6831429

CC1(C)Cc2cccc(CC(=O)O)c2O1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL24805088 0.85 LMNA (0.48) LMNAKDM5AKDM4CALDH1A1KDM4E
SCHEMBL321702 0.82 LMNA (0.49) LMNAKDM5AKDM4CALDH1A1KDM4E
SCHEMBL946262 0.81 LMNA (0.52) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL1892244 0.81 LMNA (0.48) LMNAKDM5AKDM4CALDH1A1KDM4E
SCHEMBL4176360 0.79 LMNA (0.47) LMNAKDM5AKDM4CALDH1A1KDM4E
SCHEMBL20766461 0.79 CCR8 (0.47) LMNAALDH1A1KDM4EPOLB
SCHEMBL8634114 0.78 LMNA (0.44) LMNAKDM5AKDM4CALDH1A1KDM4E
SCHEMBL10425052 0.78 LMNA (0.44) LMNAKDM5AKDM4CALDH1A1KDM4E
SCHEMBL112586 0.78 LMNA (0.44) LMNAKDM5AKDM4CALDH1A1KDM4E
SCHEMBL10696519 0.77 LMNA (0.49) LMNAKDM5AKDM4CALDH1A1NPC1

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-116323610-A Pyrazolo [3,4-b ] pyridine-4-carboxamide nitrification inhibitors 欧洲化学安特卫普公司 2023-06-23 CN claimed
CN-113135937-B Fused tetracyclic compound and application thereof in medicines 广东东阳光药业股份有限公司 2024-11-08 CN disclosed
CN-114644574-B Dioxime ether compound and preparation method and application thereof 湖南大学 2023-03-14 CN disclosed
CN-114644574-A Dioxime ether compound and preparation method and application thereof 湖南大学 2022-06-21 CN disclosed
EP-1480999-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals (US) 2004-12-01 EP disclosed
US-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-12-18 US disclosed
WO-2003072528-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-09-04 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-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 LMNA 3785/4885KDM5A 2706/4885KDM4C 2640/4885

“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.