SCHEMBL18705472

SCHEMBL18705472

CCOC(=O)c1ccc2[nH]c3c(OCCN(CC)CC)c4[nH]c5ccc(CC)cc5c4cc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HCRTR1 O43613 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42

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
SCHEMBL18713310 0.95 KDM4E (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13640256 0.87 HCRTR1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12968352 0.86 MEN1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12968354 0.84 KDM4E (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL18705463 0.83 KDM4E (0.57) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3199051 0.82 KDM4E (0.64) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL18705471 0.82 MEN1 (0.38) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1920667 0.81 KMT2A (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1920330 0.81 HCRTR1 (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13535329 0.79 KDM4E (0.60) KDM4EALDH1A1MAPTMEN1KMT2A

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-20170095450-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL 2017-04-06 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-20170095450-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 KDM4E 3048/4885ALDH1A1 608/4885MAPT 436/4885

“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.