SCHEMBL4619586

SCHEMBL4619586

CCOC(=O)C=Cc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPT P10636 4/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 2/20 0.64
MTNR1A P48039 2/20 0.60
MTNR1B P49286 1/20 0.60
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
KDM4E B2RXH2 3/20 0.55
ATM Q13315 1/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR4A2 P43354 1/20 0.49
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL4619581 1.00 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL3019508 0.87 MEN1 (0.70) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL3019510 0.87 MEN1 (0.70) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL15245773 0.86 MAPT (0.58) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL21256051 0.84 KMT2A (0.77) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL28969558 0.84 MAPT (0.56) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2304774 0.81 MAPT (0.79) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL12426701 0.81 MAPT (0.79) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2304778 0.81 MAPT (0.79) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL4942494 0.80 KMT2A (0.52) MEN1KMT2AALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD MEN1 4824/4885KMT2A 2335/4885ALDH1A1 277/4885

“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.