SCHEMBL10940490

SCHEMBL10940490

O=CNCCOCCNC=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.48
ADH1A P07327 4/20 0.48
ADH7 P40394 3/20 0.48
ADH1C P00326 3/20 0.43
EPHX1 P07099 1/20 0.42
ADH4 P08319 1/20 0.42
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL24798076 0.87 ADH1B (0.39) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL16659377 0.87 ADH1B (0.44) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL22124595 0.87
SCHEMBL3465685 0.87
SCHEMBL404646 0.87
SCHEMBL23251714 0.85 ADH1B (0.37) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL24798067 0.85 ADH1B (0.37) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL24205319 0.85 ADH1B (0.37) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL20845975 0.85 ADH1B (0.54) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL22419958 0.85 ADH1B (0.48) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129118-A1 PHYTOSPHINGOSINE DERIVATIVES AS ADJUVANTS IN IMMUNE STIMULATION Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-04-27 US disclosed
WO-2015055406-A1 METHOD FOR SEPARATING N,N,N'-TRIMETHYLBISAMINOETHYLETHER AND/OR N,N-DIMETHYLBISAMINOETHYLETHER FROM A MIXTURE HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2015-04-23 WO disclosed
EP-0078266-B1 CROSS-LINKABLE POLYMER COMPOSITION SOLUBLE IN AN AQUEOUS MEDIUM, PREPARATION AND UTILIZATION THEREOF CASSELLA Aktiengesellschaft (DE) 1985-11-13 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-20230129118-A1 PHYTOSPHINGOSINE DERIVATIVES AS ADJUVANTS IN IMMUNE STIMULATION UGCG, PA2G4, IL4 ADH1B 4320/4885ADH1A 3974/4885ADH7 4338/4885

“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.