SCHEMBL6897450

SCHEMBL6897450

CC(O)N(CP(=O)(O)O)C(C)O.[NaH].[NaH]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.36
LAP3 P28838 4/20 0.34
ANPEP P15144 3/20 0.34
ERAP1 Q9NZ08 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
METAP1 P53582 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MMP2 P08253 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1420968 0.97 FDPS (0.37) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL10492856 0.79 FDPS (0.39) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL3422757 0.77 FDPS (0.42) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL10981543 0.77 FDPS (0.37) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL17627585 0.74 FDPS (0.31) FDPSALDH1A1TDP1
SCHEMBL1477184 0.72 PPARD (0.45) TDP1
SCHEMBL11140616 0.71 PGK1 (0.43)
SCHEMBL8433896 0.69
SCHEMBL11133667 0.69 FDPS (0.44) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL35874 0.69 TSHR (0.44) TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114023-B1 PROCESS FOR PREPARING CARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2004-05-26 EP disclosed
CN-1318047-A Process for preparing carboxylic acids DOW AGROSCIENCES LLC (US) 2001-10-17 CN disclosed
US-20010008948-A1 Process for preparing carboxylic acids RINGER JAMES W (US) 2001-07-19 US disclosed
US-6229045-B1 CARBOXYLATION OF PRIMARY ALIPHATIC ALCOHOLS IN ALKALINE SOLUTION VIA CONTACTING WITH A CATALYST COMPRISING COBALT, COPPER, CERIUM, IRON, ZINC, AND/OR ZIRCONIUM DOW AGROSCIENCES LLC 2001-05-08 US 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-20010008948-A1 Process for preparing carboxylic acids ADH1A, ADH1C, ADH5 FDPS 3361/4885LAP3 3578/4885ANPEP 2548/4885

“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.