SCHEMBL5424563

SCHEMBL5424563

O=C(C=Cc1ccc(Cl)cc1)c1cc(Br)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.74
MAPT P10636 5/20 0.74
MAOA P21397 4/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
NPSR1 Q6W5P4 1/20 0.74
GUSB P08236 1/20 0.74
AR P10275 3/20 0.69
STAT3 P40763 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
PKM P14618 1/20 0.62
MEN1 O00255 2/20 0.61
NPC1 O15118 1/20 0.61
MAPK1 P28482 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.61
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL5424561 1.00 MAOB (0.74) MAOBMAPTMAOAL3MBTL1NPSR1
SCHEMBL5085108 0.88 AR (0.88) MAOBMAPTMAOAL3MBTL1GUSB
SCHEMBL5085100 0.88 AR (0.88) MAOBMAPTMAOAL3MBTL1GUSB
SCHEMBL19603333 0.85 MAPT (1.00) MAOBMAPTMAOAL3MBTL1NPSR1
SCHEMBL7956659 0.85 MAPT (0.74) MAOBMAPTMAOAL3MBTL1NPSR1
SCHEMBL2376112 0.85 MAPT (0.74) MAOBMAPTMAOAL3MBTL1NPSR1
SCHEMBL1822452 0.85 STAT3 (0.67) MAOBMAPTMAOAL3MBTL1NPSR1
SCHEMBL1830692 0.85 STAT3 (0.67) MAOBMAPTMAOAL3MBTL1NPSR1
SCHEMBL28906335 0.84 MAPT (0.72) MAOBMAPTMAOAL3MBTL1NPSR1
SCHEMBL5437092 0.84 MAOB (0.86) MAOBMAPTMAOAL3MBTL1GUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 US disclosed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MAOB 1213/4885MAPT 4566/4885MAOA 1628/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 MAOB 3735/4885MAPT 4210/4885MAOA 3153/4885

“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.