SCHEMBL13654099

SCHEMBL13654099

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
MAOA P21397 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
PLK1 P53350 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
SCHEMBL14045210 0.86 MAOB (0.37) MAOBCYP1A1CYP1B1MAOANPC1
SCHEMBL13654072 0.85 MAOB (0.41) MAOBCYP1A1CYP1B1MAOANPC1
SCHEMBL13654100 0.80 L3MBTL1 (0.46) MAOBMAOANPC1RAB9AMAPT
SCHEMBL13654097 0.72 KMT2A (0.40) MAOBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13237239 0.70 CYP1A2 (0.55) MAOBCYP1A1CYP1B1NPC1RAB9A
SCHEMBL13531014 0.69 KMT2A (0.51) MAOBMAOANPC1RAB9AMAPT
SCHEMBL22804948 0.69 NR4A2 (0.59) MAOBNPC1RAB9ASMN1; SMN2PPARG
SCHEMBL22804950 0.69 NR4A2 (0.59) MAOBNPC1RAB9ASMN1; SMN2PPARG
SCHEMBL22804739 0.69 MAOB (0.58) MAOBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22804742 0.69 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 3 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

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.