SCHEMBL19787478

SCHEMBL19787478

NCc1ccc(OCC2=CCCC=C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 17/20 0.47
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL22369027 0.83 MAOB (0.44) MAOBCYSLTR1NFE2L2
SCHEMBL131026 0.80 CYSLTR1 (0.43) MAOBCYSLTR1
SCHEMBL22457039 0.80 CYSLTR1 (0.44) MAOBCYSLTR1
SCHEMBL20111180 0.77 CYSLTR1 (0.42) CYSLTR1
SCHEMBL25111145 0.77 ITGB3 (0.51) CYSLTR1
SCHEMBL23446721 0.76 CYSLTR1 (0.51) CYSLTR1
SCHEMBL20848284 0.74 CYSLTR1 (0.39) CYSLTR1
SCHEMBL20834271 0.73 FFAR4 (0.49) CYSLTR1
SCHEMBL20710459 0.73 CYSLTR1 (0.39) MAOBCYSLTR1
SCHEMBL22239229 0.72 CYSLTR1 (0.50) CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654846-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-19 — — US disclosed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 — — 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 (2 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-10654846-B2 Autotaxin inhibitory compounds ENPP2, RNASE1, ATXN10 MAOB 314/4885CYSLTR1 835/4885KEAP1 365/4885
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS ENPP2, RNASE1, ATXN10 MAOB 314/4885CYSLTR1 835/4885KEAP1 365/4885

“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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