SCHEMBL20715403

SCHEMBL20715403

CCCC(C)(C)C(C)(C)CC(C)(C)Oc1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.48
MAOA P21397 16/20 0.48
AOC3 Q16853 1/20 0.42

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
SCHEMBL20715212 0.88 MAOB (0.50) MAOBMAOAAOC3
SCHEMBL20715626 0.87 MAOB (0.49) MAOBMAOA
SCHEMBL22053983 0.81 MAOB (0.48) MAOBMAOAAOC3
SCHEMBL22053894 0.79 MAOB (0.44) MAOBMAOAAOC3
SCHEMBL29754335 0.78 MAOB (0.55) MAOBMAOAAOC3
SCHEMBL28778453 0.78 MAOB (0.55) MAOBMAOAAOC3
SCHEMBL22052984 0.78 MAOB (0.49) MAOBMAOAAOC3
SCHEMBL703728 0.74 MAOB (0.58) MAOBMAOAAOC3
SCHEMBL29724095 0.74 MAOB (0.58) MAOBMAOAAOC3
SCHEMBL18892577 0.73 MAOB (0.76) MAOBMAOA

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-20190040048-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CURIA SPAIN, S.A.U. (ES) 2019-02-07 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-20190040048-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CYP4X1, CYP2B6, CYP2C19 MAOB 14/4885MAOA 46/4885AOC3 1099/4885

“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.