SCHEMBL31115784

SCHEMBL31115784

CC1(C)OB(C2=CC(c3cnn(Cc4ccccc4)c3)OCC2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ITK Q08881 4/20 0.35
▸ AURKA O14965 3/20 0.35
▸ SCD O00767 3/20 0.34
▸ SCD5 Q86SK9 3/20 0.34
▸ LCK P06239 1/20 0.34
▸ CREBBP Q92793 3/20 0.33
▸ PARG Q86W56 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL27166678 0.82 FFAR1 (0.34) PARGFFAR1MAPK1
SCHEMBL31115852 0.82 FFAR1 (0.34) FFAR1MAPK1
SCHEMBL24002151 0.81 MAPK1 (0.38) FFAR1MAPK1
SCHEMBL31313781 0.80 FFAR1 (0.33) FFAR1MAPK1
SCHEMBL31313670 0.78 FFAR1 (0.32) FFAR1MAPK1
SCHEMBL38661230 0.77 MAPK1 (0.35) FFAR1MAPK1
SCHEMBL24010961 0.77 MAPK1 (0.35) FFAR1MAPK1
SCHEMBL24009400 0.77 MAPK1 (0.35) FFAR1MAPK1
SCHEMBL31313944 0.75 MAPK1 (0.36) FFAR1MAPK1
SCHEMBL31115836 0.75 MAPK1 (0.34) FFAR1MAPK1

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-20240309003-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2024-09-19 — — 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-20240309003-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 KLKB1 3995/4885L3MBTL1 4809/4885ITK 1057/4885

“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.

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