SCHEMBL385975

SCHEMBL385975

Cn1cccc1CI.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
RECQL P46063 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL387025 0.79 LMNA (0.42) CYP3A4TDP1SMN1; SMN2ESR1ESR2
Trimethylammonium SCHEMBL386754 0.79 CYP3A4 (0.39) CYP3A4MEN1KMT2ACYP2C19CYP2D6
SCHEMBL457472 0.71 CYP3A4 (0.67) CYP3A4TDP1ALDH1A1SMN1; SMN2ESR1
SCHEMBL293241 0.71 CYP3A4 (0.75) CYP3A4TDP1ALDH1A1SMN1; SMN2ESR1
Iodomethane SCHEMBL114985 0.68 TDP1 (0.80) CYP3A4TDP1ALDH1A1SMN1; SMN2ESR1
SCHEMBL5157031 0.68 CYP3A4 (0.60) CYP3A4TDP1ALDH1A1SMN1; SMN2ESR1
SCHEMBL8860734 0.68 TDP1 (0.60) CYP3A4TDP1ALDH1A1SMN1; SMN2ESR1
SCHEMBL28883395 0.67 CYP3A4 (0.67) CYP3A4TDP1SMN1; SMN2ESR1ESR2
SCHEMBL10103709 0.67 MEN1 (0.44) CYP3A4MEN1KMT2ACYP2C19CYP2D6
Propane SCHEMBL28233649 0.66 CYP3A4 (0.75) CYP3A4TDP1SMN1; SMN2ESR1ESR2

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 3885/4885MEN1 1065/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 CYP3A4 3443/4885TDP1 4400/4885MEN1 307/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB CYP3A4 1794/4885TDP1 3739/4885MEN1 1067/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 CYP3A4 3889/4885TDP1 3799/4885MEN1 1225/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A CYP3A4 3301/4885TDP1 3477/4885MEN1 940/4885

“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.