SCHEMBL13654080

SCHEMBL13654080

CCOP(=O)(COc1cccc(C(C)=O)c1)OCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAOB P27338 12/20 0.54
MEN1 O00255 2/20 0.51
MAOA P21397 4/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NR1H4 Q96RI1 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL13654559 0.85 KMT2A (0.42) KMT2ASMN1; SMN2MAOBMEN1MAOA
SCHEMBL4169303 0.82 L3MBTL1 (0.54) MAOBMAOAPOLBRAB9AMAPT
SCHEMBL13531014 0.82 KMT2A (0.51) KMT2ASMN1; SMN2MAOBMEN1MAOA
SCHEMBL307233 0.81 KMT2A (0.75) KMT2ASMN1; SMN2MAOBMEN1MAOA
SCHEMBL4156214 0.81 CHRNB2 (0.46)
SCHEMBL4167582 0.79 TDP1 (0.47) KMT2AMEN1POLBRAB9AMAPT
SCHEMBL13654097 0.78 KMT2A (0.40) KMT2ASMN1; SMN2MAOBMEN1NPC1
SCHEMBL23733048 0.78 MAOB (0.46) KMT2ASMN1; SMN2MAOBNPC1RAB9A
SCHEMBL5974513 0.76 MAOB (0.68) KMT2ASMN1; SMN2MAOBMEN1MAOA
SCHEMBL9055584 0.76 CYP2C9 (0.55) POLBMAPT

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 KMT2A 4832/4885SMN1; SMN2 4186/4885MAOB 4618/4885

“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.