SCHEMBL12363333

SCHEMBL12363333

Cc1ccc2c(c1)C(=O)N(Cc1cccc(CN3Cc4ccc(C(=O)O)cc4C3=O)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC4 P56524 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC7 Q8WUI4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
DHPS P49366 1/20 0.41
PARP1 P09874 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
SCHEMBL12446493 0.93 HDAC1 (0.52) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL2331340 0.89 MEN1 (0.48) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL15945103 0.88 KMT2A (0.53) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL12446492 0.87 KMT2A (0.63) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL2065219 0.86 HDAC1 (0.59) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL12446495 0.86 HDAC1 (0.49) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL23784314 0.85 HDAC1 (0.46) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL12204910 0.84 MEN1 (0.49) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL15120603 0.84 HDAC1 (0.55) KMT2AMEN1HDAC1HDAC4HDAC6
SCHEMBL18348558 0.82 KMT2A (0.52) KMT2AMEN1HDAC1HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994245-B2 Oxygen scavenging molecules, articles containing same, and methods of their use CONSTAR INTERNATIONAL L.L.C. (US) 2011-08-09 US disclosed
US-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2008-11-13 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-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use SCO2, SQOR, DUOX2 KMT2A 3643/4885MEN1 3526/4885HDAC1 2713/4885

“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.