SCHEMBL385582

SCHEMBL385582

COc1c(C)c2c(c(O)c1CCC(C)C=CC(=O)OCCN1CCOCC1)C(=O)OC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
LMNA P02545 2/20 0.60
ABCC4 O15439 1/20 0.60
NR1I2 O75469 1/20 0.60
ABCB11 O95342 1/20 0.60
SLC6A4 P31645 1/20 0.60
KCNH2 Q12809 1/20 0.60
PDE3A Q14432 1/20 0.60
IMPDH2 P12268 15/20 0.50
IMPDH1 P20839 13/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL12030281 0.77 ALDH1A1 (0.80) ALDH1A1HPGDLMNAABCC4NR1I2
SCHEMBL14030182 0.77 ALDH1A1 (0.78) ALDH1A1HPGDLMNAABCC4NR1I2
Mycophenolate Mofetil SCHEMBL10262894 0.75 ALDH1A1 (1.00) ALDH1A1HPGDLMNAABCC4NR1I2
Mycophenolate Mofetil SCHEMBL218782 0.75 ALDH1A1 (1.00) ALDH1A1HPGDLMNAABCC4NR1I2
Mycophenolate Mofetil SCHEMBL29378681 0.75 ALDH1A1 (1.00) ALDH1A1HPGDLMNAABCC4NR1I2
Mycophenolate Mofetil SCHEMBL23581135 0.75 ALDH1A1 (1.00) ALDH1A1HPGDLMNAABCC4NR1I2
Mycophenolate Mofetil SCHEMBL28390 0.75 ALDH1A1 (1.00) ALDH1A1HPGDLMNAABCC4NR1I2
Mycophenolate Mofetil SCHEMBL4195 0.75 ALDH1A1 (1.00) ALDH1A1HPGDLMNAABCC4NR1I2
Mycophenolate Mofetil SCHEMBL29645056 0.75 ALDH1A1 (1.00) ALDH1A1HPGDLMNAABCC4NR1I2
Mycophenolate Mofetil SCHEMBL29571382 0.75 ALDH1A1 (1.00) ALDH1A1HPGDLMNAABCC4NR1I2

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 ALDH1A1 945/4885HPGD 1032/4885LMNA 4143/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ALDH1A1 2821/4885HPGD 1336/4885LMNA 3060/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB ALDH1A1 582/4885HPGD 1033/4885LMNA 1187/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 ALDH1A1 1443/4885HPGD 2521/4885LMNA 2699/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A ALDH1A1 898/4885HPGD 2567/4885LMNA 1759/4885

“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.