SCHEMBL6325964

SCHEMBL6325964

O=C(OCc1ccccc1)c1cc(CNCCc2ccccn2)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
SLC2A1 P11166 1/20 0.51
BCHE P06276 3/20 0.47
KCNA5 P22460 2/20 0.47
KCNK3 O14649 1/20 0.47
KCNA3 P22001 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
CCR5 P51681 1/20 0.45
ALOX15 P16050 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
FOLH1 Q04609 1/20 0.44
RAF1 P04049 2/20 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
SCHEMBL6324807 0.81 SLC2A1 (0.55) KMT2ASLC2A1BCHEALDH1A1MEN1
SCHEMBL6324640 0.80 BCHE (0.70) KMT2ASLC2A1BCHEALDH1A1MEN1
SCHEMBL6324830 0.77 SLC2A1 (0.53) KMT2ASLC2A1BCHEALDH1A1MEN1
SCHEMBL6322772 0.75 BCHE (0.72) KMT2ABCHEALDH1A1MEN1
SCHEMBL11094898 0.73 MTNR1A (0.56) KMT2ASLC2A1BCHEALDH1A1KDM4E
SCHEMBL1317416 0.73 POLB (0.53) KMT2AALDH1A1KDM4ELMNAHTT
SCHEMBL6742452 0.73 CYP1A2 (0.60) KMT2AALDH1A1MEN1KDM4ELMNA
Oxalic Acid SCHEMBL2539860 0.72 ALDH1A1 (0.54) KMT2ABCHEALDH1A1MEN1KDM4E
SCHEMBL23809724 0.72 ALDH1A1 (0.62) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL1315281 0.71 ALDH1A1 (0.59) KMT2AALDH1A1MEN1KDM4ELMNA

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 KMT2A 3367/4885SLC2A1 320/4885BCHE 3800/4885

“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.