SCHEMBL4512682

SCHEMBL4512682

C#CC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
TACR1 P25103 1/20 0.36
FOLH1 Q04609 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL30500657 0.83 SLC1A1 (0.44) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL31103849 0.83 SLC1A1 (0.48) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL14659486 0.83 SLC1A1 (0.44) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL11454462 0.82 CA1 (0.56) SLC1A1KMT2ACA1CA2CA7
SCHEMBL3622881 0.82 SLC1A1 (0.43) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL22129783 0.82 SLC1A1 (0.43) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL10351545 0.81 SLC1A1 (0.55) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL11672160 0.80 SLC1A1 (0.45) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL29164157 0.79 SLC1A1 (0.46) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL30690363 0.79 SLC1A1 (0.46) SLC1A1SLC1A3SLC1A2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227781-A1 Glycolipid Derivative and Drug Containing the Same as Active Component JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2009-09-10 US disclosed
EP-1905766-A1 GLYCOLIPID DERIVATIVE AND THERAPEUTIC AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Japan as represented by President of National Center of Neurology and Psychiatry (JP) 2008-04-02 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-20090227781-A1 Glycolipid Derivative and Drug Containing the Same as Active Component CD4, UGCG, HRH2 SLC1A1 4263/4885SLC1A3 4308/4885SLC1A2 4324/4885

“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.