SCHEMBL22354562

SCHEMBL22354562

OC(CN(CC(O)c1ccccc1)CC(O)c1ccccc1)CN(CC(O)c1ccccc1)CC(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.57
LMNA P02545 1/20 0.50
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RET P07949 1/20 0.45
KDR P35968 1/20 0.45
RIPK1 Q13546 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL10297493 0.93 AOC3 (0.63) AOC3LMNAKDM4EL3MBTL1RET
SCHEMBL9729386 0.93 AOC3 (0.63) AOC3LMNAKDM4EL3MBTL1RET
SCHEMBL14065068 0.83 AOC3 (0.70) AOC3LMNAKDM4EL3MBTL1RET
SCHEMBL11420730 0.81 AOC3 (0.60) AOC3LMNAKDM4EL3MBTL1RET
SCHEMBL5417971 0.81 AOC3 (0.60) AOC3LMNAKDM4EL3MBTL1RET
SCHEMBL25596758 0.80 AOC3 (0.46) AOC3LMNAKDM4ESMN1; SMN2
SCHEMBL22807616 0.79 AOC3 (0.63) AOC3LMNAKDM4EL3MBTL1RIPK1
Hydrochloric Acid SCHEMBL9737723 0.79 AOC3 (0.58) AOC3LMNAKDM4EL3MBTL1RIPK1
SCHEMBL9641990 0.79 KDM4E (0.54) AOC3LMNAKDM4EL3MBTL1RET
SCHEMBL4407771 0.79 AOC3 (0.53) AOC3LMNAKDM4EL3MBTL1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159581-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS SYNOVO GMBH (DE) 2023-05-25 US disclosed
US-20230159581-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS SYNOVO GMBH (DE) 2023-05-25 US disclosed
US-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS BURNET MICHEAL W (DE) 2023-04-27 US disclosed
US-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS BURNET MICHEAL W (DE) 2023-04-27 US disclosed
WO-2021195126-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS BURNET MICHAEL W (DE) 2021-09-30 WO disclosed
US-20200262857-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS SYNOVO GMBH (DE) 2020-08-20 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 (3 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-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CTSA, GAA, SLC7A5 AOC3 2372/4885LMNA 4327/4885KDM4E 3394/4885
US-20230159581-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS CTSA, ALOX15, ALOX5 AOC3 1811/4885LMNA 4335/4885KDM4E 3648/4885
US-20200262857-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS CTSA, ALOX15, ALOX5 AOC3 1811/4885LMNA 4335/4885KDM4E 3648/4885

“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.