SCHEMBL6324701

SCHEMBL6324701

O=C(CCCc1ccccc1)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.69
MAP2K1 Q02750 6/20 0.69
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX5 P09917 3/20 0.55
BCHE P06276 1/20 0.50
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 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
SCHEMBL6324891 0.81 RAF1 (0.80) RAF1MAP2K1KDM4EALDH1A1CYP1A2
SCHEMBL5584957 0.81 RAF1 (1.00) RAF1MAP2K1KDM4EALDH1A1CYP1A2
SCHEMBL6327100 0.80 RAF1 (0.82) RAF1MAP2K1KDM4EALDH1A1LTB4R
SCHEMBL6326868 0.80 RAF1 (0.79) RAF1MAP2K1KDM4EALDH1A1LTB4R
SCHEMBL6327310 0.79 RAF1 (0.80) RAF1MAP2K1KDM4EALDH1A1CYP3A4
SCHEMBL6324552 0.78 RAF1 (0.73) RAF1MAP2K1KDM4EALDH1A1LTB4R
SCHEMBL6324574 0.76 RAF1 (0.80) RAF1MAP2K1KDM4EALDH1A1ALOX5
SCHEMBL6322178 0.75 RAF1 (0.76) RAF1MAP2K1KDM4EALDH1A1NPC1
SCHEMBL3995060 0.74 KDM4E (0.50) RAF1MAP2K1KDM4EALDH1A1FFAR1
SCHEMBL6324928 0.74 RAF1 (0.82) RAF1MAP2K1KDM4EALDH1A1CYP3A4

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 3 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
EP-1442018-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-08-04 EP 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 4672/4885KDM4E 2416/4885

“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.