SCHEMBL3083713

SCHEMBL3083713

O=C(CCCCCO)OC1C(OC(=O)CCCCCO)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OC(=O)CCCCCO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 2/20 0.46
TLR4 O00206 1/20 0.46
ITPR3 Q14573 7/20 0.42
ITPR2 Q14571 3/20 0.41
ITPR1 Q14643 3/20 0.41
INPPL1 O15357 1/20 0.41
AKT1 P31749 1/20 0.41
SMPD1 P17405 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
INPP5A Q14642 1/20 0.36

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
SCHEMBL3072929 1.00 LY96 (0.46) LY96TLR4ITPR3ITPR2ITPR1
SCHEMBL3075469 0.88 LY96 (0.55) LY96TLR4SMPD1
SCHEMBL3082731 0.88 LY96 (0.55) LY96TLR4SMPD1
SCHEMBL3083211 0.86 ITPR3 (0.46) LY96TLR4ITPR3ITPR2ITPR1
SCHEMBL3078229 0.86 ITPR3 (0.46) LY96TLR4ITPR3ITPR2ITPR1
SCHEMBL3075893 0.86 LY96 (0.53) LY96TLR4SMPD1
SCHEMBL3063341 0.86 LY96 (0.53) LY96TLR4SMPD1
SCHEMBL3076907 0.84 LY96 (0.48) LY96TLR4ITPR3ITPR2ITPR1
SCHEMBL3075504 0.84 LY96 (0.48) LY96TLR4ITPR3ITPR2ITPR1
SCHEMBL25532651 0.82 ITPR3 (0.39) LY96TLR4ITPR3ITPR2ITPR1

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
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
EP-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 EP disclosed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 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-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B LY96 3278/4885TLR4 2430/4885ITPR3 3281/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB LY96 865/4885TLR4 741/4885ITPR3 4534/4885

“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.