SCHEMBL29304364

SCHEMBL29304364

COc1cccc(COc2ccc(C(C)C)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.68
▸ MRGPRX4 Q96LA9 2/20 0.62
▸ FFAR1 O14842 2/20 0.58
▸ IDO1 P14902 2/20 0.54
▸ AGXT P21549 2/20 0.54
▸ TAAR1 Q96RJ0 2/20 0.53
▸ TP53 P04637 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ BCHE P06276 1/20 0.51

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
SCHEMBL18745423 0.90 MAOB (0.57) MAOBMRGPRX4FFAR1IDO1AGXT
SCHEMBL16564407 0.88 MAOB (0.68) MAOBFFAR1IDO1AGXTTAAR1
SCHEMBL14547318 0.87 MAOB (0.81) MAOBMRGPRX4IDO1AGXTTP53
SCHEMBL15472287 0.85 MRGPRX4 (0.63) MAOBMRGPRX4FFAR1BCHE
SCHEMBL14854755 0.84 MAOB (0.77) MAOBMRGPRX4FFAR1IDO1AGXT
SCHEMBL13263642 0.83 MAOB (0.79) MAOBMRGPRX4IDO1AGXTTP53
SCHEMBL26581162 0.83 MRGPRX4 (0.68) MAOBMRGPRX4FFAR1RAB9A
SCHEMBL21234325 0.83 MAOB (0.67) MAOBMRGPRX4FFAR1
SCHEMBL171916 0.82 MAOB (0.73) MAOBMRGPRX4FFAR1IDO1AGXT
SCHEMBL10727095 0.82 RXRA (0.64) MAOBFFAR1RAB9ASMN1; SMN2

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-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 — — 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-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C MAOB 943/4885MRGPRX4 871/4885FFAR1 2256/4885

“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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