SCHEMBL20216002

SCHEMBL20216002

O=P(O)(O)OCc1ccc2c(c1)OCc1cc(OCc3cccc(CO)c3)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.47
MAOA P21397 10/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
GRM5 P41594 5/20 0.39
ROCK2 O75116 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL20216036 0.89 ROCK2 (0.38) ROCK2
SCHEMBL17954248 0.88 MAOB (0.42) MAOBMAOASMN1; SMN2TSHRGRM5
SCHEMBL17954215 0.85 MAOB (0.48) MAOBMAOASMN1; SMN2TSHRGRM5
SCHEMBL18165309 0.83 FFAR1 (0.51) MAOBMAOA
SCHEMBL17954236 0.77 ROCK2 (0.39) ROCK2
SCHEMBL16624617 0.76 MAOB (0.44) MAOBMAOASMN1; SMN2GRM5ROCK2
SCHEMBL17954241 0.74 ROCK2 (0.37) ROCK2
SCHEMBL22540441 0.74 FFAR1 (0.49) MAOBMAOA
SCHEMBL16631067 0.74 ITGB3 (0.46) MAOBMAOAGRM5
SCHEMBL28362262 0.73 TSHR (0.48) SMN1; SMN2TSHRNPC1RAB9A

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-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 MAOB 4294/4885MAOA 4134/4885SMN1; SMN2 2037/4885

“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.