SCHEMBL1609259

SCHEMBL1609259

COc1cc(C=O)c(O)cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.59
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SRD5A1 P18405 2/20 0.49
SRD5A2 P31213 2/20 0.49
SMPD1 P17405 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
BCHE P06276 2/20 0.48
PTGER4 P35408 1/20 0.47
PTGER2 P43116 1/20 0.47
APP P05067 2/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL29901059 1.00 ERN1 (0.59) ERN1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL28855366 1.00 ERN1 (0.59) ERN1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL21822700 0.88 ALDH1A1 (0.57) ERN1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL6703657 0.85 ERN1 (0.51) ERN1SMN1; SMN2MAPTL3MBTL1NPC1
SCHEMBL1067302 0.85 ALDH1A1 (0.58) ERN1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL17513671 0.85 ERN1 (0.55) ERN1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL16096378 0.84 ERN1 (0.51) ERN1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL4596442 0.84 SMN1; SMN2 (0.60) ERN1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL20563703 0.84 SMN1; SMN2 (0.60) ERN1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL20982624 0.84 ERN1 (0.59) ERN1HPGDSMN1; SMN2MAPTALDH1A1

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 ERN1 2927/4885HPGD 163/4885SMN1; SMN2 1281/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 ERN1 3641/4885HPGD 611/4885SMN1; SMN2 2315/4885

“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.