SCHEMBL23635249

SCHEMBL23635249

CCCCSC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.48
PTGS1 P23219 2/20 0.44
ESR1 P03372 2/20 0.44
PDE4A P27815 1/20 0.44
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ABCC2 Q92887 1/20 0.37
FAP Q12884 1/20 0.36
ELANE P08246 1/20 0.34
KDM6B O15054 2/20 0.33
KDM4A O75164 2/20 0.33
KDM4D Q6B0I6 2/20 0.33
KDM3B Q7LBC6 2/20 0.33
HIF1AN Q9NWT6 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL23635250 1.00 CACNA1C (0.48) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL21580502 0.94 CACNA1C (0.49) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL10440528 0.89 CACNA1C (0.51) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL23635213 0.88 CACNA1C (0.48) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL23635224 0.88 CACNA1C (0.48) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL22871641 0.88 CACNA1C (0.51) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL8199354 0.88 CACNA1C (0.51) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL23635230 0.87 CACNA1C (0.46) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL21081293 0.85 CACNA1C (0.43) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL21081299 0.85 CACNA1C (0.46) CACNA1CPTGS1ESR1PDE4AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214766-A1 DIOXETANE COMPOUNDS AND THEIR USE FOR THE DETECTION OF MICROORGANISMS NEMIS TECHNOLOGIES AG (CH) 2021-07-15 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 (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-20210214766-A1 DIOXETANE COMPOUNDS AND THEIR USE FOR THE DETECTION OF MICROORGANISMS DAXX, CD14, MYADM CACNA1C 4455/4885PTGS1 1150/4885ESR1 762/4885

“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.