SCHEMBL3474319

SCHEMBL3474319

COC(=O)C(=O)CC(=O)c1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 4/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL31070388 0.87 ALDH1A1 (0.46) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL31070390 0.87 ALDH1A1 (0.46) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL22257011 0.84 KDM4E (0.53) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL30785982 0.84 KDM4E (0.53) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL4923377 0.83 RAB9A (0.41) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL20486513 0.81 MAPK1 (0.39) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL12461455 0.80 ALDH1A1 (0.56) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL22257009 0.80 KDM4E (0.49) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL5524888 0.80 MPC2 (0.43) KDM4EALDH1A1MAPK1RAB9ANPC1
SCHEMBL15429775 0.79 KDM4E (0.55) KDM4EALDH1A1MAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 KDM4E 1934/4885ALDH1A1 1487/4885MAPK1 1460/4885

“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.