SCHEMBL6324928

SCHEMBL6324928

COc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1OC(=O)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.82
MAP2K1 Q02750 9/20 0.82
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 4/20 0.58
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 4/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
APP P05067 1/20 0.44

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
SCHEMBL5584957 0.90 RAF1 (1.00) RAF1MAP2K1ALDH1A1KDM4ETDP1
SCHEMBL6324574 0.88 RAF1 (0.80) RAF1MAP2K1ALDH1A1KDM4ETDP1
SCHEMBL6327025 0.84 RAF1 (0.76) RAF1MAP2K1ALDH1A1KDM4ETDP1
SCHEMBL6616512 0.83 RAF1 (0.74) RAF1MAP2K1ALDH1A1KDM4ETDP1
SCHEMBL6326868 0.80 RAF1 (0.79) RAF1MAP2K1ALDH1A1KDM4ETDP1
SCHEMBL6327100 0.80 RAF1 (0.82) RAF1MAP2K1ALDH1A1KDM4EMEN1
SCHEMBL6324891 0.79 RAF1 (0.80) RAF1MAP2K1ALDH1A1KDM4ETDP1
SCHEMBL6327310 0.79 RAF1 (0.80) RAF1MAP2K1ALDH1A1KDM4EL3MBTL1
SCHEMBL6322178 0.77 RAF1 (0.76) RAF1MAP2K1ALDH1A1KDM4ETDP1
SCHEMBL6324552 0.77 RAF1 (0.73) RAF1MAP2K1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228017-A1 Novel anticancer compounds MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE 2005-10-13 US disclosed
US-6943182-B2 Cyclopentabenzofuran derivatives and their use BAYER AKTIENGESELLSCHAFT (DE) 2005-09-13 US disclosed
EP-1442018-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-08-04 EP disclosed
US-20030144334-A1 Cyclopentabenzofuran derivatives and their use GUARNIERI WALTER (DE) 2003-07-31 US disclosed
WO-2003037865-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-05-08 WO 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-20030144334-A1 Cyclopentabenzofuran derivatives and their use NFKBIA, IKBKG, NFKB1 RAF1 3010/4885MAP2K1 4185/4885ALDH1A1 2159/4885
US-20050228017-A1 Novel anticancer compounds TP53, ABCG2, MCL1 RAF1 660/4885MAP2K1 4672/4885ALDH1A1 211/4885

“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.