SCHEMBL3082560

SCHEMBL3082560

CCCCOC1C(OCCCC)C(OP(=O)(O)OCC(=O)O)C(OP(=O)(O)OCC(=O)O)C(OP(=O)(O)OCC(=O)O)C1OCCCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
GPR55 Q9Y2T6 3/20 0.36
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
CYP3A4 P08684 1/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
AKT1 P31749 4/20 0.34
AKT2 P31751 3/20 0.34
AKT3 Q9Y243 3/20 0.34
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
PLCG2 P16885 1/20 0.34
GAB1 Q13480 1/20 0.34
MVD P53602 1/20 0.34
SMPD1 P17405 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3082937 1.00 GBA1 (0.38) GBA1GPR55PDPK1MTORCYP3A4
SCHEMBL3073143 0.95 GBA1 (0.44) GBA1GPR55LPAR3LPAR1LPAR2
SCHEMBL3082302 0.95 GBA1 (0.44) GBA1GPR55LPAR3LPAR1LPAR2
SCHEMBL3077134 0.94 GBA1 (0.46) GBA1GPR55LPAR3LPAR1LPAR2
SCHEMBL3073934 0.94 GBA1 (0.46) GBA1GPR55LPAR3LPAR1LPAR2
SCHEMBL3068650 0.91 PDPK1 (0.37) GPR55PDPK1MTORAKT1AKT2
SCHEMBL3082767 0.91 PDPK1 (0.37) GPR55PDPK1MTORAKT1AKT2
SCHEMBL3077143 0.79 GPR55 (0.43) GPR55AKT1PLCG2SMPD1
SCHEMBL3085500 0.78 GPR55 (0.47) GPR55LPAR3LPAR1LPAR2AKT1
SCHEMBL3069602 0.78 GBA1 (0.36) GBA1PDPK1MTORCYP3A4LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US claimed
EP-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 EP claimed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 WO claimed
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT SIRÈN MATTI (FI) 2016-03-17 US disclosed
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 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 (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-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B GBA1 2176/4885GPR55 873/4885PDPK1 3190/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB GBA1 91/4885GPR55 1619/4885PDPK1 3837/4885

“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.