SCHEMBL9953172

SCHEMBL9953172

CC(C)Cc1nccnc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL18858530 0.83 PDE3B (0.44) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL12844139 0.79 PDE3B (0.32) PDE3BPDE3A
SCHEMBL30610258 0.74 PDE3B (0.40) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL1532455 0.74 PDE3B (0.40) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL13980103 0.74 PDE3B (0.40) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL30110738 0.74 PDE3B (0.40) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL2732228 0.74 PIK3CG (0.31)
SCHEMBL9661177 0.73 LMNA (0.43) KDM4E
SCHEMBL11786386 0.73 PDE3B (0.39) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL10964015 0.73 PDE3B (0.39) PDE3BPDE3AKDM4EUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654432-B1 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH ROOMBIOTIC GMBH (AT) 2017-02-08 EP claimed
EP-2654432-A2 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH Research Center Pharmaceutical Engineering GmbH (AT) 2013-10-30 EP claimed
WO-2012085255-A2 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH RESEARCH CENTER PHARMACEUTICAL ENGINEERING GMBH (AT) 2012-06-28 WO claimed
CN-115895940-B Application of paenibacillus piri volatile secondary metabolite in agricultural production 广西民族大学 2024-05-24 CN disclosed
US-20230357319-A1 PROTEASOME INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2023-11-09 US disclosed
CN-115895940-A Application of paenibacillus dermorhinus volatile secondary metabolite in agricultural production 广西民族大学 2023-04-04 CN disclosed
EP-2654432-B1 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH ROOMBIOTIC GMBH (AT) 2017-02-08 EP disclosed
EP-2654432-A2 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH Research Center Pharmaceutical Engineering GmbH (AT) 2013-10-30 EP disclosed
WO-2012085255-A2 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH RESEARCH CENTER PHARMACEUTICAL ENGINEERING GMBH (AT) 2012-06-28 WO disclosed
CN-1285717-A Flavorants from yeast extracts MALRA FOOD CO (GB) 2001-02-28 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-20230357319-A1 PROTEASOME INHIBITORS PSMG3, PSME1, PSMB1 PDE3B 4426/4885PDE3A 4283/4885KDM4E 1867/4885

“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.