SCHEMBL644452

SCHEMBL644452

COC(=O)c1cc2c(OC)ccc(OC)c2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.73
HPGD P15428 2/20 0.73
GAA P10253 2/20 0.67
GLA P06280 1/20 0.67
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KLF5 Q13887 2/20 0.54
POLB P06746 2/20 0.53
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 7/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL8319614 0.89 GAA (0.62) KDM4EHPGDGAAGLAKMT2A
SCHEMBL8320971 0.89 KDM4E (0.59) KDM4EHPGDGAAGLAKMT2A
SCHEMBL30310515 0.88 KDM4E (0.57) KDM4EHPGDGAAGLAKMT2A
SCHEMBL20604977 0.88 KDM4E (0.57) KDM4EHPGDGAAGLAKMT2A
SCHEMBL8324363 0.88 GAA (0.60) KDM4EHPGDGAAGLAKMT2A
SCHEMBL8322794 0.88 KDM4E (0.57) KDM4EHPGDGAAGLAKMT2A
SCHEMBL5106377 0.88 KDM4E (0.57) KDM4EHPGDGAAGLAKMT2A
SCHEMBL3602542 0.85 KDM4E (1.00) KDM4EHPGDGAAGLAKMT2A
SCHEMBL29824959 0.85 KDM4E (1.00) KDM4EHPGDGAAGLAKMT2A
SCHEMBL10510170 0.82 GLA (0.54) KDM4EHPGDGAAGLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108630-A1 Hedgehog Pathway Antagonists and Methods of Use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-05-03 US disclosed
US-8119640-B2 Hedgehog pathway antagonists methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-02-21 US disclosed
US-20110015201-A1 HEDGEHOG PATHWAY ANTAGONISTS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-20 US disclosed
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP 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-20110015201-A1 HEDGEHOG PATHWAY ANTAGONISTS AND METHODS OF USE SHH, GLI1, SMO KDM4E 1642/4885HPGD 3250/4885GAA 2837/4885
US-20120108630-A1 Hedgehog Pathway Antagonists and Methods of Use SHH, GLI1, SMO KDM4E 1642/4885HPGD 3250/4885GAA 2837/4885

“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.