SCHEMBL22895136

SCHEMBL22895136

CCc1cccc(C(C)S)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
CXCR4 P61073 2/20 0.33
PARP1 P09874 1/20 0.33
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL1581851 0.83 KCNH2 (0.36) KCNH2CXCR4PARP1NOS1NOS2
SCHEMBL31481285 0.83 KCNH2 (0.36) KCNH2CXCR4PARP1NOS1NOS2
Ammonia Solution, Strong SCHEMBL7989286 0.82 KCNH2 (0.35) KCNH2CXCR4PARP1NOS1NOS2
SCHEMBL19069604 0.81 PARP1 (0.35) KCNH2CXCR4PARP1
SCHEMBL20436448 0.80 KCNH2 (0.34) KCNH2CXCR4PARP1NOS1NOS2
SCHEMBL27270503 0.80 PARP1 (0.37) KCNH2CXCR4PARP1HRH4CHRNB2
SCHEMBL15318642 0.80 TSHR (0.35) KCNH2CXCR4PARP1NOS1NOS2
SCHEMBL18710696 0.78 KCNH2 (0.33) KCNH2CXCR4PARP1NOS1NOS2
SCHEMBL14599963 0.78 NOS1 (0.35) KCNH2CXCR4PARP1NOS1NOS2
SCHEMBL23343749 0.78 ADORA2A (0.37) KCNH2CXCR4PARP1NOS1NOS2

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-10894803-B2 Multi-functionalized polysaccharide compounds and use thereof for targeting the cation-independent mannose 6-phosphate receptor NANOMEDSYN (FR) 2021-01-19 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-10894803-B2 Multi-functionalized polysaccharide compounds and use thereof for targeting the cation-independent mannose 6-phosphate receptor M6PR, IGF2R, MPI KCNH2 3938/4885CXCR4 455/4885PARP1 559/4885

“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.