SCHEMBL385865

SCHEMBL385865

C[C@](N)(CO)CCc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.40
RIPK1 Q13546 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.37
ALOX5 P09917 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.36
GAA P10253 3/20 0.36
CXCR2 P25025 1/20 0.36
SLC1A3 P43003 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
SCHEMBL385593 0.80 S1PR1 (0.40) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL4014366 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL14443187 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL26657702 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL17473820 0.72 RIPK1 (0.48) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL1532367 0.71
SCHEMBL9183600 0.71 TAAR1 (0.47) ALDH1A1POLBKDM4ETDP1TSHR
SCHEMBL8447244 0.71 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL5428396 0.71 TAAR1 (0.47) ALDH1A1POLBKDM4ETDP1TSHR
SCHEMBL8079384 0.70 RIPK1 (0.43) ALDH1A1MAPTPOLBRIPK1RAB9A

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 945/4885KMT2A 3736/4885MEN1 1065/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ALDH1A1 2821/4885KMT2A 2185/4885MEN1 307/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB ALDH1A1 582/4885KMT2A 2919/4885MEN1 1067/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 ALDH1A1 1443/4885KMT2A 3339/4885MEN1 1225/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A ALDH1A1 898/4885KMT2A 1437/4885MEN1 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.