SCHEMBL6902024

SCHEMBL6902024

O=P(O)(O)CNCCO.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ANPEP P15144 2/20 0.31
S1PR2 O95136 5/20 0.30
S1PR4 O95977 5/20 0.30
S1PR1 P21453 5/20 0.30
S1PR3 Q99500 5/20 0.30
S1PR5 Q9H228 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
SCHEMBL8655979 1.00 KDM4E (0.32) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL1463861 0.97
SCHEMBL10766689 0.92 S1PR2 (0.33) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL14356088 0.83 KDM4E (0.39) KDM4EMMP2THRBMAPK1HSD17B10
Glyphosate SCHEMBL11565161 0.78 MEN1 (0.34)
Diethanolamine SCHEMBL1831509 0.77 S1PR2 (0.34) KDM4EMMP2THRBMAPK1HSD17B10
Diethanolamine SCHEMBL75329 0.77 S1PR2 (0.34) KDM4EMMP2THRBMAPK1HSD17B10
Diethanolamine SCHEMBL1833785 0.77 S1PR2 (0.34) KDM4EMMP2THRBMAPK1HSD17B10
Diethanolamine SCHEMBL5026621 0.77 S1PR2 (0.34) KDM4EMMP2THRBMAPK1HSD17B10
Iminobis(Methylphosphonic Acid) SCHEMBL357369 0.76 KDM4E (0.44) KDM4EMMP2THRBMAPK1HSD17B10

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 6 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
EP-1114023-A1 PROCESS FOR PREPARING CARBOXYLIC ACIDS Dow AgroSciences LLC (US) 2001-07-11 EP 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
WO-2000015601-A1 PROCESS FOR PREPARING CARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2000-03-23 WO 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 KDM4E 3300/4885MMP2 2075/4885THRB 2836/4885

“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.