SCHEMBL3684121

SCHEMBL3684121

O=C(O)[C@H]1O[C@@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.46
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
CTRB1 P17538 1/20 0.40
FASN P49327 1/20 0.39
KEAP1 Q14145 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
CYP1A2 P05177 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
EPHX1 P07099 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5194710 1.00 TLR9 (0.46) TLR9CES2CES1AKR1B1CTRB1
SCHEMBL5194716 1.00 TLR9 (0.46) TLR9CES2CES1AKR1B1CTRB1
SCHEMBL5194706 1.00 TLR9 (0.46) TLR9CES2CES1AKR1B1CTRB1
SCHEMBL6069576 0.81 FASN (0.47) FASNKEAP1SLC6A2SLC6A4SLC6A3
SCHEMBL6817041 0.81 FASN (0.47) FASNKEAP1SLC6A2SLC6A4SLC6A3
SCHEMBL6069567 0.81 FASN (0.47) FASNKEAP1SLC6A2SLC6A4SLC6A3
SCHEMBL4604644 0.81 FASN (0.47) FASNKEAP1SLC6A2SLC6A4SLC6A3
SCHEMBL9692649 0.80 BACE1 (0.52) TLR9BACE1MEN1KMT2A
SCHEMBL8056399 0.79 TLR9 (0.51) TLR9LTB4RLTB4R2HTTKMT2A
SCHEMBL18175957 0.78 CTRB1 (0.42) TLR9CES2CES1AKR1B1CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834190-B2 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION (JP) 2010-11-16 US disclosed
US-7834190-B2 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION (JP) 2010-11-16 US disclosed
US-7834190-B2 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION (JP) 2010-11-16 US disclosed
US-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION 2010-02-25 US disclosed
US-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION 2010-02-25 US disclosed
US-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION 2010-02-25 US disclosed
EP-2039689-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-2 -HYDROXYPROPIONIC CYCLOPROPYLAMIDE DERIVATIVES AND SALTS THEREOF Kaneka Corporation (JP) 2009-03-25 EP disclosed
EP-2039689-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-2 -HYDROXYPROPIONIC CYCLOPROPYLAMIDE DERIVATIVES AND SALTS THEREOF Kaneka Corporation (JP) 2009-03-25 EP disclosed
US-5581007-A Process for preparing optically active allophenylnorstatin derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-12-03 US disclosed
EP-0729939-A2 Process for preparing optically active allophenylnorstatin derivatives, and intermediates for use therein Takasago International Corporation (JP) 1996-09-04 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 (1 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-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof HPD, HAAO, OGFOD1 TLR9 4328/4885CES2 316/4885CES1 726/4885

“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.