SCHEMBL383836

SCHEMBL383836

CC[C@@]1(CCc2ccco2)COC(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
MAPT P10636 6/20 0.35
POLB P06746 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
RECQL P46063 3/20 0.35
APEX1 P27695 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
DNMT1 P26358 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35
MMP2 P08253 1/20 0.35
PTPN7 P35236 1/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 2/20 0.33
THRB P10828 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
SCHEMBL384900 0.81 FPR2 (0.39) FPR2MAPTPOLBKMT2AMEN1
SCHEMBL4446549 0.77 NPSR1 (0.34) POLBKDM4ELMNANPSR1CYP2C19
SCHEMBL5168006 0.72 ALDH1A1 (0.32) TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL27618637 0.72 ALDH1A1 (0.33) FPR2MAPTPOLBKMT2AMEN1
SCHEMBL12427227 0.69 MGLL (0.32)
SCHEMBL7713860 0.68 S1PR1 (0.60) HPGD
SCHEMBL2394831 0.68 MGLL (0.32) POLBKDM4ENPSR1GAA
SCHEMBL4455670 0.67 S1PR1 (0.33)
SCHEMBL384374 0.67 MAPT (0.41) MAPTPOLBKMT2AMEN1RECQL
SCHEMBL384373 0.67 MAPT (0.41) MAPTPOLBKMT2AMEN1RECQL

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 FPR2 654/4885MAPT 3715/4885POLB 2164/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 FPR2 33/4885MAPT 3338/4885POLB 4236/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB FPR2 25/4885MAPT 2117/4885POLB 2273/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 FPR2 44/4885MAPT 1819/4885POLB 1738/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A FPR2 621/4885MAPT 3634/4885POLB 1476/4885

“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.