SCHEMBL6324574

SCHEMBL6324574

COc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.80
MAP2K1 Q02750 9/20 0.80
ALOX5 P09917 2/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TRPV1 Q8NER1 2/20 0.49
TDP1 Q9NUW8 1/20 0.47

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 0.89 RAF1 (1.00) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL6324928 0.88 RAF1 (0.82) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL6327025 0.83 RAF1 (0.76) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL6616512 0.82 RAF1 (0.74) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL6327100 0.81 RAF1 (0.82) RAF1MAP2K1KDM4EALDH1A1
SCHEMBL6326868 0.81 RAF1 (0.79) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL6324891 0.80 RAF1 (0.80) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL6327310 0.79 RAF1 (0.80) RAF1MAP2K1KDM4EALDH1A1
SCHEMBL6324552 0.77 RAF1 (0.73) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL6324701 0.76 RAF1 (0.69) RAF1MAP2K1ALOX5KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6963015-B2 Ethylene-hexafluoropropylene copolymer elastomer DAIKIN INDUSTRIES, LTD (JP) 2005-11-08 US disclosed
US-20050228017-A1 Novel anticancer compounds MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE 2005-10-13 US disclosed
US-6858763-B2 Process for preparing elastomeric ethylene-hexafluoropropylene copolymer DAIKIN INDUSTRIES, LTD. (JP) 2005-02-22 US disclosed
US-20040214973-A1 Process for preparing elastomeric ethylene-hexafluoropropylene copolymer DAIKIN INDUSTRIES, LTD. (JP) 2004-10-28 US disclosed
EP-1442018-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-08-04 EP disclosed
US-20040030049-A1 Ethylene/hexafluoropropylene copolymer elastomer DAIKIN INDUSTRIES, LTD. (JP) 2004-02-12 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 (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-20050228017-A1 Novel anticancer compounds TP53, ABCG2, MCL1 RAF1 660/4885MAP2K1 4672/4885ALOX5 2647/4885

“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.