SCHEMBL9946059

SCHEMBL9946059

Cc1cccc(OCc2ccc(C(C)C)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.55
MAOA P21397 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
IDO1 P14902 1/20 0.47
APP P05067 1/20 0.46

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
SCHEMBL1549250 0.88 MAOB (0.68) MAOBMAOAHRH3APP
SCHEMBL9946057 0.86 MAOB (0.60) MAOBMAOAMRGPRX4IDO1
SCHEMBL12182456 0.84 MAOB (0.74) MAOBMAOAHRH3APP
SCHEMBL9946031 0.84 MAOB (0.64) MAOBMAOAAPP
SCHEMBL15472276 0.84 MAOB (0.60) MAOBMAOARXRARXRBMRGPRX4
SCHEMBL24726361 0.83 ALDH1A1 (0.59) MAOBMAOAHRH3APP
SCHEMBL13483792 0.83 MAOB (0.61) MAOBMAOARXRARXRBHRH3
SCHEMBL1702528 0.83 MAOB (0.62) MAOBMAOAHRH3APP
SCHEMBL15472341 0.83 MAOB (0.61) MAOBMAOAMRGPRX4
SCHEMBL4638967 0.83 MAOB (0.66) MAOBMAOARXRARXRBMRGPRX4

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MAOB 780/4885MAOA 809/4885RXRA 1479/4885

“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.