SCHEMBL9893668

SCHEMBL9893668

COc1cccc(COc2c(Br)cc(C)cc2B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL9893695 0.86 THRA (0.51) MAOBIDO1AGXTTHRATHRB
SCHEMBL9905525 0.86 MAOB (0.52) MAOBIDO1AGXTMRGPRX4ABCB1
SCHEMBL9893782 0.85 MAOB (0.48) MAOBIDO1AGXTTHRATHRB
SCHEMBL12440977 0.84 MAOB (0.55) MAOBIDO1AGXTTHRATHRB
SCHEMBL3317609 0.84 LIPE (0.50) MAOBTHRATHRBMAPTSMN1; SMN2
SCHEMBL9893602 0.84 ENPP2 (0.56) MAOBIDO1AGXTTHRATHRB
SCHEMBL13429941 0.82 MAOB (0.52) MAOBIDO1AGXTTHRATHRB
SCHEMBL13429710 0.81 MAOB (0.51) MAOBIDO1AGXTTHRATHRB
SCHEMBL12514353 0.81 MAOB (0.51) MAOBIDO1AGXTTHRATHRB
SCHEMBL9946067 0.79 MAOB (0.45) MAOBIDO1AGXTTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MAOB 780/4885IDO1 2748/4885AGXT 4339/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MAOB 780/4885IDO1 2748/4885AGXT 4339/4885

“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.