SCHEMBL19993489

SCHEMBL19993489

NCCCCCCOP(=O)(O)OO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 1/20 0.44
ITPR1 Q14643 1/20 0.44
LPAR3 Q9UBY5 7/20 0.41
LPAR2 Q9HBW0 6/20 0.41
LPAR1 Q92633 4/20 0.41
FDPS P14324 2/20 0.39
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
DNM1 Q05193 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
SCHEMBL23631720 0.89 ITPR3 (0.47) ITPR3ITPR1LPAR3LPAR2LPAR1
SCHEMBL23631717 0.87 ITPR3 (0.49) ITPR3ITPR1LPAR3LPAR2LPAR1
SCHEMBL19124751 0.82
SCHEMBL14727907 0.82 LPAR3 (0.53) ITPR3ITPR1LPAR3LPAR2LPAR1
SCHEMBL2755680 0.82 LPAR3 (0.44) ITPR3ITPR1LPAR3LPAR2LPAR1
SCHEMBL10025915 0.82 ITPR3 (0.42) ITPR3ITPR1LPAR3LPAR2LPAR1
SCHEMBL18121613 0.82 ITPR3 (0.42) ITPR3ITPR1LPAR3LPAR2LPAR1
SCHEMBL8829466 0.82 BTN3A1 (0.47) ITPR3ITPR1LPAR3LPAR2LPAR1
SCHEMBL19237471 0.82 LPAR3 (0.44) ITPR3ITPR1LPAR3LPAR2LPAR1
SCHEMBL26079101 0.82 LPAR3 (0.44) ITPR3ITPR1LPAR3LPAR2LPAR1

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-20220056451-A1 HBV BINDING OLIGONUCLEOTIDES AND METHODS OF USE ALIGOS THERAPEUTICS, INC. 2022-02-24 US disclosed
US-20180078612-A1 INTRACELLULAR DELIVERY SYSTEM AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-22 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-20220056451-A1 HBV BINDING OLIGONUCLEOTIDES AND METHODS OF USE HAVCR2, POLRMT, DCLRE1B ITPR3 4082/4885ITPR1 3884/4885LPAR3 2401/4885
US-20180078612-A1 INTRACELLULAR DELIVERY SYSTEM AND METHODS LNPEP, CHERP, CHMP4B ITPR3 2657/4885ITPR1 2284/4885LPAR3 1412/4885

“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.