SCHEMBL23879797

SCHEMBL23879797

CCC(O)c1cccc(CO)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.41
LMNA P02545 2/20 0.39
HSD11B1 P28845 2/20 0.38
CCR1 P32246 1/20 0.36
ADRB1 P08588 1/20 0.36
HIF1A Q16665 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SCN9A Q15858 2/20 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
SCHEMBL20436438 0.81 TSHR (0.37) IRAK4CCR1KCNH2
SCHEMBL20416692 0.81 CCR1 (0.39) IRAK4HSD11B1CCR1
SCHEMBL1579296 0.81 HTT (0.42) LMNAHSD11B1CCR1ADRB1
SCHEMBL4047127 0.79 GABRA1 (0.42) IRAK4CCR1
SCHEMBL20442084 0.77 IRAK4 (0.33) IRAK4CCR1KCNH2
SCHEMBL20416948 0.77 KDM4E (0.35) LMNAHSD11B1ADRB1HRH4GRIN2D
SCHEMBL19085083 0.77 CCR1 (0.39) IRAK4CCR1
SCHEMBL20400486 0.76 CCR1 (0.38) IRAK4CCR1
SCHEMBL17559548 0.76 NOS3 (0.42) LMNAHSD11B1ADRB1
SCHEMBL21010067 0.76 IRAK4 (0.42) IRAK4LMNAHSD11B1ADRB1

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-11136251-B2 Compositions, methods, and devices for capturing phosphate from water REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-10-05 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-11136251-B2 Compositions, methods, and devices for capturing phosphate from water PPA1, ACP3, CASR IRAK4 2837/4885LMNA 3172/4885HSD11B1 4736/4885

“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.