SCHEMBL1608781

SCHEMBL1608781

CCOC(=O)c1cc2cc(OC)c(O)c([N+](=O)[O-])c2o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.40
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE3A Q14432 1/20 0.39
GAA P10253 3/20 0.38
HSD17B2 P37059 1/20 0.38
GPR35 Q9HC97 1/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL6478938 0.85 MAPT (0.70) MAPTMCL1ALDH1A1L3MBTL1GAA
SCHEMBL6985505 0.81 MAPT (0.73) MAPTALDH1A1LMNARAB9AL3MBTL1
SCHEMBL6448421 0.77 MAPT (0.47) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL26244635 0.75 MAPT (0.49) MAPTALDH1A1LMNARAB9AL3MBTL1
SCHEMBL6979379 0.74 MAPT (0.55) MAPTRAB9AL3MBTL1PDE7AGAA
SCHEMBL6488722 0.74 GPR35 (0.68) MAPTMCL1ALDH1A1GPR35PKM
SCHEMBL29852905 0.73 GPR35 (0.53) MAPTALDH1A1LMNARAB9AL3MBTL1
SCHEMBL1982581 0.73 GPR35 (0.53) MAPTALDH1A1LMNARAB9AL3MBTL1
SCHEMBL6977065 0.73 MAOB (0.47) MAPTALDH1A1LMNARAB9APDE7A
SCHEMBL6987618 0.73 MAPT (0.54) MAPTLMNARAB9AL3MBTL1GAA

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 MAPT 1148/4885MCL1 3810/4885ALDH1A1 65/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 MAPT 2131/4885MCL1 4587/4885ALDH1A1 233/4885

“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.