SCHEMBL1608930

SCHEMBL1608930

COC(=O)c1cc(OC)c(OC)cc1CBr

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.56
POLB P06746 3/20 0.47
KMT2A Q03164 2/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 6/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 4/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 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
SCHEMBL25342879 0.88 HTR2A (0.44) KDM4EPOLBLCKFYNHTT
SCHEMBL30825413 0.88 HTR2A (0.44) KDM4EPOLBLCKFYNHTT
SCHEMBL25330783 0.88 KDM4E (0.47) KDM4EPOLBLCKFYNALDH1A1
SCHEMBL18415319 0.87 KDM4E (0.58) KDM4EPOLBKMT2AALDH1A1HSD17B10
SCHEMBL29127993 0.87 GAA (0.53) KDM4EPOLBKMT2AALDH1A1HSD17B10
SCHEMBL19691966 0.87 ALDH1A1 (0.44) KDM4EPOLBKMT2AALDH1A1HSD17B10
SCHEMBL13469255 0.85 KDM4E (0.59) KDM4EPOLBKMT2ACYP3A4ALDH1A1
SCHEMBL8589287 0.85 KMT2A (0.49) KDM4EKMT2AALDH1A1HPGDGAA
SCHEMBL28617100 0.85 TNFSF11 (0.41) KDM4EPOLBKMT2AALDH1A1HSD17B10
SCHEMBL7347616 0.84 LCK (0.59) KDM4EKMT2ALCKFYNCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 KDM4E 2512/4885POLB 1168/4885KMT2A 2938/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 KDM4E 594/4885POLB 2098/4885KMT2A 1989/4885

“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.