SCHEMBL6326613

SCHEMBL6326613

CC(C)(C)ON(C=O)OCC(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AOC3 Q16853 2/20 0.37
ADRB3 P13945 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL19798395 0.71 RIPK1 (0.53) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL9317468 0.68 AOC3 (0.36) RIPK1KDM4EL3MBTL1AOC3ALDH1A1
SCHEMBL6184942 0.68 NR1H2 (0.36) RIPK1LMNAALDH1A1KMT2A
SCHEMBL9865740 0.68 KDM4E (0.50) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL28412066 0.66 RIPK1 (0.34) RIPK1LMNAALDH1A1CYP1A2KMT2A
SCHEMBL16155387 0.65 AOC3 (0.59) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL1154790 0.65 LMNA (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3
Benzene SCHEMBL27821286 0.65 LMNA (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL6689030 0.65 LMNA (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL4416648 0.65 LMNA (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3

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-20050096360-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICALS COMPANY 2005-05-05 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-20050096360-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC3 RIPK1 1836/4885LMNA 4496/4885KDM4E 1438/4885

“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.