SCHEMBL12836879

SCHEMBL12836879

CCNc1cc2oc3cc(=O)c(C)cc-3c(-c3ccccc3C(=O)N(C)CCOC(=O)Oc3ccc(N=O)cc3)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ FTO Q9C0B1 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL17399558 0.90 KMT2A (0.33) KMT2AMEN1MAPTHPGDBLM
SCHEMBL14078008 0.83 — —
SCHEMBL12763980 0.81 KMT2A (0.37) KMT2AMEN1MAPTHPGDBLM
SCHEMBL14078007 0.76 MEN1 (0.32) KMT2AMEN1MAPTHPGDBLM
SCHEMBL14078005 0.75 — —
SCHEMBL12763960 0.75 ALDH1A1 (0.32) KMT2AMEN1MAPTBLMKDM4E
SCHEMBL12836878 0.74 ABCB1 (0.35) KMT2AMEN1MAPTHPGDBLM
SCHEMBL22247631 0.74 FTO (0.33) KMT2AMEN1MAPTHPGDBLM
SCHEMBL14078004 0.74 KDM4E (0.31) KMT2AMEN1MAPTHPGDBLM
SCHEMBL18258300 0.73 KDM4E (0.34) KMT2AMEN1MAPTHPGDBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054165-A1 XANTHENE DYES BIOSEARCH TECHNOLOGIES, INC. (US) 2011-03-03 — — 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-20110054165-A1 XANTHENE DYES ANXA5, ANTXR2, XPOT KMT2A 4043/4885MEN1 894/4885MAPT 1517/4885

“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.

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