SCHEMBL4386949

SCHEMBL4386949

C=CC(Br)c1cc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
MAOB P27338 5/20 0.40
MAOA P21397 2/20 0.40
KDM4E B2RXH2 2/20 0.39
FLT3 P36888 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TYR P14679 1/20 0.38
DAO P14920 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
CA2 P00918 2/20 0.37
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2043200 0.81 CYP2A6 (0.52) CYP2A6MAOBMAOAKDM4EFLT3
SCHEMBL28909940 0.78 KDM4E (0.47) CYP2A6MAOBMAOAKDM4EFLT3
SCHEMBL3264168 0.78 CYP2A6 (0.43) CYP2A6MAOBMAOAKDM4EFLT3
SCHEMBL28311733 0.78 CYP2A6 (0.43) CYP2A6MAOBMAOAKDM4EFLT3
SCHEMBL10373052 0.76 TNKS (0.46) MAOBKDM4ETDP1SMN1; SMN2HPGD
SCHEMBL17785118 0.75 CYP2D6 (0.49) CYP2A6MAOBMAOAKDM4EFLT3
SCHEMBL225144 0.72 CYP2A6 (0.64) CYP2A6MAOBMAOAKDM4EFLT3
SCHEMBL23615788 0.72 CYP2D6 (0.46) CYP2A6MAOBMAOAKDM4EFLT3
SCHEMBL17969087 0.71 CYP2D6 (0.49) CYP2A6MAOBMAOAKDM4EFLT3
SCHEMBL9811903 0.71 CYP2D6 (0.49) CYP2A6MAOBMAOAKDM4EFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021381-B1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-12-23 EP disclosed
US-8580976-B2 Process for preparing A 2-substituted benzofuran-3-yl borate ester DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-11-12 US disclosed
US-20130102789-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-04-25 US disclosed
US-20130102795-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-04-25 US disclosed
US-20130085284-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-04-04 US disclosed
US-8362265-B2 Hafnium complexes of heterocyclic organic ligands DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-01-29 US disclosed
US-20090069567-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES LLC 2009-03-12 US disclosed
EP-2021381-A2 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-02-11 EP disclosed
WO-2007130242-A2 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES INC. (US) 2007-11-15 WO 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 (4 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-20130102795-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS HACL2, MIA3, HAO2 CYP2A6 814/4885MAOB 165/4885MAOA 206/4885
US-20130085284-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS HACL2, MIA3, HAO2 CYP2A6 814/4885MAOB 165/4885MAOA 206/4885
US-20090069567-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS HACL2, MIA3, HAO2 CYP2A6 814/4885MAOB 165/4885MAOA 206/4885
US-20130102789-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS HACL2, MIA3, HAO2 CYP2A6 814/4885MAOB 165/4885MAOA 206/4885

“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.