SCHEMBL25804147

SCHEMBL25804147

CCCC(C)c1c(C)csc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
HTR1A P08908 1/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
GAA P10253 1/20 0.42
POLB P06746 2/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL23340400 0.92 CYP1A2 (0.50) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL23340399 0.81 CYP1A2 (0.48) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL22692943 0.81 CYP1A2 (0.49) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL23046634 0.80 CYP1A2 (0.39) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL22692958 0.78 CYP1A2 (0.38) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL23046629 0.76 ALDH1A1 (0.40) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL167302 0.73 MAPT (0.51) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL23046636 0.72 GSK3B (0.43) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL23872752 0.71 CYP1A2 (0.49) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL2728475 0.70 MAPT (0.49) CYP1A2CYP3A4HTR1ASCN1ASCN2A

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-11696912-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-11 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-11696912-B2 Charged ion channel blockers and methods for use TRPV1, ASIC1, TRPA1 CYP1A2 3384/4885CYP3A4 3440/4885HTR1A 1110/4885

“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.