SCHEMBL13654072

SCHEMBL13654072

CCOP(=O)(COc1ccc(C(=O)/C=C(\O)C(F)(F)F)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MAOA P21397 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLK1 P53350 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL13654097 0.86 KMT2A (0.40) MAOBNPC1RAB9AMAPTKMT2A
SCHEMBL13654099 0.85 MAOB (0.38) MAOBCYP1A1CYP1B1MAOANPC1
SCHEMBL4169303 0.76 L3MBTL1 (0.54) MAOBMAOARAB9AMAPTPLK1
SCHEMBL5198811 0.74 PLK1 (0.45) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL13237239 0.74 CYP1A2 (0.55) MAOBCYP1A1CYP1B1NPC1RAB9A
SCHEMBL3181184 0.73 MAPT (0.58) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL22804950 0.73 NR4A2 (0.59) MAOBNPC1RAB9ASMN1; SMN2ABCG2
SCHEMBL22804948 0.73 NR4A2 (0.59) MAOBNPC1RAB9ASMN1; SMN2ABCG2
SCHEMBL22804739 0.72 MAOB (0.58) MAOBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22804742 0.72 MAOB (0.58) MAOBNPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES MAOB 4618/4885CYP1A1 4086/4885CYP1B1 3945/4885

“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.