SCHEMBL2217484

SCHEMBL2217484

COc1ccc(C(=O)O)c(CN2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
MOK Q9UQ07 1/20 0.48
APP P05067 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 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
SCHEMBL14551132 0.90 SMN1; SMN2 (0.54) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2221724 0.88 HCRTR1 (0.59) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL12726156 0.86 KMT2A (0.52) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL11018569 0.86 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL12515331 0.85 MTNR1B (0.51) KDM4EALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL11622445 0.78 SMN1; SMN2 (0.59) KDM4EALDH1A1SMN1; SMN2MAPTRECQL
SCHEMBL11148657 0.78 SMN1; SMN2 (0.59) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL980086 0.77 CYP1A2 (0.55) KDM4EALDH1A1MAPTAPPTP53
SCHEMBL27688926 0.77 CYP3A4 (0.64) ALDH1A1MAPTMOK
SCHEMBL28792758 0.76 DRD2 (0.54) KDM4EALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
EP-2521451-A1 HEDGEHOG INHIBITORS Selexagen Therapeutics, Inc. (US) 2012-11-14 EP disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011085261-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011085261-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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-20130012513-A1 HEDGEHOG INHIBITORS SHH, SMO, GLI1 KDM4E 2019/4885ALDH1A1 2913/4885SMN1; SMN2 1889/4885

“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.