SCHEMBL30291553

SCHEMBL30291553

C[C@H](O)COc1cccc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ PTGDR Q13258 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ OGA O60502 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ PDE10A Q9Y233 6/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PIK3CB P42338 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
SCHEMBL30291447 1.00 GAA (0.43) GAACYP2C19PTGDRPRMT5WDR77
SCHEMBL30291577 0.87 GAA (0.41) GAACYP2C19PTGDRPRMT5WDR77
SCHEMBL30291479 0.86 PIK3CD (0.49) GAACYP2C19PRMT5WDR77PIK3CD
SCHEMBL30291693 0.86 PIK3CD (0.49) GAACYP2C19PRMT5WDR77PIK3CD
SCHEMBL29359142 0.83 KIF18A (0.42) PIK3CAACACBATRPIK3CB
SCHEMBL22488000 0.81 BRAF (0.46) GAACYP2C19PIK3CABRAFATR
SCHEMBL29355937 0.80 PIK3CA (0.46) GAACYP2C19PIK3CDPIK3CABRAF
SCHEMBL22488002 0.80 BRAF (0.43) GAACYP2C19PIK3CABRAFATR
SCHEMBL22488555 0.80 BRAF (0.43) GAACYP2C19PIK3CABRAFATR
SCHEMBL13706046 0.77 CYP2C19 (0.58) GAACYP2C19OGAATRPDE10A

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-20230081390-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2023-03-16 — — 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-20230081390-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF GAA 1754/4885CYP2C19 4217/4885PTGDR 2992/4885

“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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