SCHEMBL601540

SCHEMBL601540

CCCCCOC1COCOC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GBA1 P04062 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL18784256 0.91 ALDH1A1 (0.44) ALDH1A1TDP1GBA1SMN1; SMN2EPHX2
SCHEMBL11672013 0.89 ALDH1A1 (0.47) ALDH1A1TDP1GBA1SMN1; SMN2EPHX2
SCHEMBL18784323 0.89 ALDH1A1 (0.47) ALDH1A1TDP1GBA1SMN1; SMN2EPHX2
SCHEMBL18784316 0.89 ALDH1A1 (0.47) ALDH1A1TDP1GBA1SMN1; SMN2EPHX2
SCHEMBL3755541 0.85 ALDH1A1 (0.44) ALDH1A1
SCHEMBL3755536 0.85 ALDH1A1 (0.44) ALDH1A1
SCHEMBL17356736 0.85
SCHEMBL597505 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6379260 0.79 ALDH1A1 (0.46) ALDH1A1TDP1GBA1SMN1; SMN2SPHK2
SCHEMBL15962846 0.78 SMN1; SMN2 (0.47) ALDH1A1TDP1GBA1SMN1; SMN2SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114903-B2 Cytokine modulators using cyclic glycerides of essential polyunsaturated fatty acids BTG INTERNATIONAL LIMITED (GB) 2012-02-14 US claimed
EP-1853254-B1 CYTOKINE MODULATORS USING CYCLIC GLYCERIDES OF ESSENTIAL POLYUNSATURATED FATTY ACIDS BTG INT LTD (GB) 2010-12-08 EP claimed
US-20100297196-A1 Cytokine modulators using cyclic glycerides of essential polyunsaturated fatty acids BTG INTERNATIONAL LIMITED (GB) 2010-11-25 US claimed
US-20090137660-A1 Cytokine Modulators Using Cyclic Glycerides of Essential Polyunsaturated Fatty Acids BTG INTERNATIONAL LIMITED (GB) 2009-05-28 US claimed
EP-1853254-A1 CYTOKINE MODULATORS USING CYCLIC GLYCERIDES OF ESSENTIAL POLYUNSATURATED FATTY ACIDS BTG International Limited (GB) 2007-11-14 EP claimed
WO-2006092623-A1 CYTOKINE MODULATORS USING CYCLIC GLYCERIDES OF ESSENTIAL POLYUNSATURATED FATTY ACIDS BTG INTERNATIONAL LIMITED (GB) 2006-09-08 WO claimed
US-8114903-B2 Cytokine modulators using cyclic glycerides of essential polyunsaturated fatty acids BTG INTERNATIONAL LIMITED (GB) 2012-02-14 US disclosed
EP-1853254-B1 CYTOKINE MODULATORS USING CYCLIC GLYCERIDES OF ESSENTIAL POLYUNSATURATED FATTY ACIDS BTG INT LTD (GB) 2010-12-08 EP disclosed
US-20100297196-A1 Cytokine modulators using cyclic glycerides of essential polyunsaturated fatty acids BTG INTERNATIONAL LIMITED (GB) 2010-11-25 US disclosed
US-20090137660-A1 Cytokine Modulators Using Cyclic Glycerides of Essential Polyunsaturated Fatty Acids BTG INTERNATIONAL LIMITED (GB) 2009-05-28 US disclosed
EP-1853254-A1 CYTOKINE MODULATORS USING CYCLIC GLYCERIDES OF ESSENTIAL POLYUNSATURATED FATTY ACIDS BTG International Limited (GB) 2007-11-14 EP disclosed
WO-2006092623-A1 CYTOKINE MODULATORS USING CYCLIC GLYCERIDES OF ESSENTIAL POLYUNSATURATED FATTY ACIDS BTG INTERNATIONAL LIMITED (GB) 2006-09-08 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 (2 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-20090137660-A1 Cytokine Modulators Using Cyclic Glycerides of Essential Polyunsaturated Fatty Acids IL5, IL15, IL2 ALDH1A1 1563/4885TDP1 4882/4885GBA1 422/4885
US-20100297196-A1 Cytokine modulators using cyclic glycerides of essential polyunsaturated fatty acids IL5, IL2, IL15 ALDH1A1 2185/4885TDP1 4883/4885GBA1 632/4885

“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.