SCHEMBL386470

SCHEMBL386470

BrCc1ccco1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL538112 0.83
SCHEMBL11379565 0.81
Dibromomethane SCHEMBL7950072 0.73 TDP1 (0.75) CYP3A4TDP1ESR1ESR2TSHR
Dibromomethane SCHEMBL5329477 0.73 TDP1 (0.75) CYP3A4TDP1ESR1ESR2TSHR
1,2-Dibromoethane SCHEMBL28837174 0.71 TDP1 (0.71) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL4418220 0.71 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2KDM4E
Fluoride SCHEMBL2551493 0.71 TDP1 (0.92) CYP3A4TDP1ESR1ESR2TSHR
Fluoride SCHEMBL2551489 0.71 TDP1 (0.92) CYP3A4TDP1ESR1ESR2TSHR
Fluoride SCHEMBL1149824 0.71 TDP1 (0.92) CYP3A4TDP1ESR1ESR2TSHR
Fluoride SCHEMBL9231621 0.71 TDP1 (0.92) CYP3A4TDP1ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT CYP3A4 1492/4885TDP1 3885/4885ESR1 818/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 CYP3A4 3443/4885TDP1 4400/4885ESR1 688/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB CYP3A4 1794/4885TDP1 3739/4885ESR1 260/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 CYP3A4 3889/4885TDP1 3799/4885ESR1 218/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A CYP3A4 3301/4885TDP1 3477/4885ESR1 570/4885

“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.