SCHEMBL4481973

SCHEMBL4481973

CCOC(=O)CSc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
NR4A2 P43354 1/20 0.49
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TUBB4A P04350 2/20 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
SCHEMBL4493312 0.89 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL4481268 0.85 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL28061038 0.81 STAT3 (0.63) ALDH1A1KDM4EGAAHSD17B10MEN1
SCHEMBL5188220 0.79 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL4619391 0.77 CYP2D6 (0.64) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL31451717 0.76 NR4A2 (0.74) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL2866771 0.76 NR4A2 (0.74) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL9516255 0.75 HTR2A (0.61) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL8292283 0.75 CYP2D6 (0.68) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL9672135 0.74 MTNR1A (0.53) ALDH1A1KDM4EHPGDGAARAB9A

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-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
EP-1819673-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-08-22 EP disclosed
WO-2006060456-A2 INDOLE DERIVATIVES FOR USE AS PPAR PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-06-08 WO disclosed
US-20060116416-A1 PPAR active compounds PLEXXIKON, INC 2006-06-01 US 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-20060116416-A1 PPAR active compounds PPARG, PPARA, PPARD ALDH1A1 789/4885KDM4E 4062/4885HPGD 428/4885

“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.