SCHEMBL1678583

SCHEMBL1678583

COCOc1c(C(F)(F)F)ccc(COc2ccc(Br)cc2)c1C(OC)OC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.34
MAOA P21397 1/20 0.34
AR P10275 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
RXRA P19793 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SRD5A2 P31213 1/20 0.32
APP P05067 1/20 0.31
FFAR1 O14842 2/20 0.30

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
SCHEMBL5065630 0.86 APP (0.35) MAOBMAOANR1H2NR1H3RXRA
SCHEMBL4938686 0.80 NR1H2 (0.55) NR1H2NR1H3RXRAFFAR1
SCHEMBL1679594 0.80 PIM1 (0.35) PIM1PIM2
SCHEMBL1678703 0.80 ADAMTS4 (0.41) MAOBMAOANR1H2NR1H3CYP2C19
SCHEMBL4942432 0.80 NR1H2 (0.44) NR1H2NR1H3RXRASRD5A2FFAR1
SCHEMBL1679563 0.78 PIM1 (0.34) PIM1PIM2
SCHEMBL4938675 0.76 NR1H2 (0.59) NR1H2NR1H3RXRAFFAR1
SCHEMBL1679141 0.76 PIM1 (0.37) PIM1PIM2
SCHEMBL1678648 0.75 NR1H2 (0.42) NR1H2NR1H3RXRAFFAR1
SCHEMBL5062321 0.75 NR1H3 (0.41) MAOBMAOANR1H2NR1H3RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094827-B Benzene compound having two or more substituents DAIICHI SANKYO CO LTD 2012-06-13 CN disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI MAOB 2729/4885MAOA 1854/4885AR 625/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 MAOB 1658/4885MAOA 2940/4885AR 97/4885

“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.