SCHEMBL4466843

SCHEMBL4466843

COC(=O)c1ccc(F)c(-n2c(C)cc(O)cc2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.44
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
XDH P47989 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL4380059 0.92 CYP1A2 (0.49) ALDH1A1SMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL2706645 0.87 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL4378519 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL4383585 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2KMT2ALMNACA12
SCHEMBL4387429 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL27621545 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL4378061 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL4377003 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4ELMNACA12
SCHEMBL4377764 0.79 ALDH1A1 (0.52) ALDH1A1LMNACA12CA1CA2
SCHEMBL4382368 0.79 MAPK14 (0.56) MAPK14

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-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 ALDH1A1 787/4885SMN1; SMN2 1433/4885KDM4E 3869/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885SMN1; SMN2 1419/4885KDM4E 3921/4885

“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.