SCHEMBL23365652

SCHEMBL23365652

CC(C)OP(=O)(O)O[C@H]1OC[C@H](O)[C@@H]1OP(=O)(O)OCCCO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 1/20 0.34
ITPR1 Q14643 1/20 0.34
AKT1 P31749 2/20 0.33
PLCG2 P16885 1/20 0.33
PIK3R1 P27986 1/20 0.33
AKT2 P31751 1/20 0.33
PIK3CA P42336 1/20 0.33
AKT3 Q9Y243 1/20 0.33
GAB1 Q13480 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL17954258 0.85 ITPR3 (0.33) ITPR3ITPR1AKT1PLCG2PIK3R1
SCHEMBL17954259 0.81 AKT1 (0.36) ITPR3ITPR1AKT1PLCG2PIK3R1
SCHEMBL17954263 0.81 AKT1 (0.36) ITPR3ITPR1AKT1PLCG2PIK3R1
SCHEMBL17954260 0.81 AKT1 (0.36) ITPR3ITPR1AKT1PLCG2PIK3R1
SCHEMBL17954261 0.81 AKT1 (0.36) ITPR3ITPR1AKT1PLCG2PIK3R1
SCHEMBL17954294 0.73 LPAR3 (0.35)
SCHEMBL17954272 0.70 AKT1 (0.33) AKT1PLCG2PIK3R1AKT2PIK3CA
SCHEMBL20215996 0.69 AKT1 (0.30) AKT1PLCG2PIK3R1AKT2PIK3CA
SCHEMBL17954265 0.69
SCHEMBL17954224 0.68 FBP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2021-05-18 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 (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-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 ITPR3 815/4885ITPR1 648/4885AKT1 1600/4885

“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.