SCHEMBL5134572

SCHEMBL5134572

COc1ccc(CC=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TRPA1 O75762 1/20 0.46
RELA Q04206 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
SCHEMBL5134571 1.00 MAOA (0.51) MAOAMAOBRAB9AMEN1NPC1
SCHEMBL11429370 0.91 CYP3A4 (0.57) RAB9ANPC1ALDH1A1TP53CYP3A4
SCHEMBL28839751 0.86 IDO1 (0.41) MAOAMAOBRAB9AMEN1MAPT
SCHEMBL10038879 0.86 IDO1 (0.41) MAOAMAOBRAB9AMEN1MAPT
SCHEMBL9955019 0.85 RELA (0.67) MAOAMAOBRAB9AMAPTALDH1A1
SCHEMBL9955015 0.85 RELA (0.67) MAOAMAOBRAB9AMAPTALDH1A1
SCHEMBL22525324 0.83 CYP1A1 (0.54) RAB9AMEN1NPC1GAAMAPT
SCHEMBL15105021 0.83 TRPA1 (0.63) MAOBRAB9AMEN1NPC1GAA
SCHEMBL6680147 0.83 ALDH1A1 (0.52) MAOAMAOBRAB9AMEN1NPC1
SCHEMBL9954124 0.83 TRPA1 (0.63) MAOBRAB9AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 US disclosed
US-20060122222-A1 Heterocycle substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 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 (3 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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ MAOA 842/4885MAOB 378/4885RAB9A 2846/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ MAOA 842/4885MAOB 378/4885RAB9A 2846/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ MAOA 842/4885MAOB 378/4885RAB9A 2846/4885

“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.