SCHEMBL5780562

SCHEMBL5780562

CCOC(=O)C(=Cc1ccc2[nH]c(C)cc2c1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
AXL P30530 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL5780560 1.00 ALOX15 (0.48) ALOX15ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5780557 1.00 ALOX15 (0.48) ALOX15ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5778251 0.82 CYP2A6 (0.48) ALDH1A1MAPTLMNAMAPK1MEN1
SCHEMBL5778253 0.82 CYP2A6 (0.48) ALDH1A1MAPTLMNAMAPK1MEN1
SCHEMBL5778241 0.82 CYP2A6 (0.48) ALDH1A1MAPTLMNAMAPK1MEN1
SCHEMBL5781331 0.76 CYP2A6 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5781336 0.76 CYP2A6 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5782313 0.75 THRA (0.49) ALDH1A1HPGDHSD17B10MAPTLMNA
SCHEMBL5782317 0.75 THRA (0.49) ALDH1A1HPGDHSD17B10MAPTLMNA
SCHEMBL5782314 0.75 THRA (0.49) ALDH1A1HPGDHSD17B10MAPTLMNA

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
EP-1539746-B1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-11-15 EP disclosed
EP-1539746-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6890947-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-10 US disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO disclosed
US-20040053979-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-03-18 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-20040053979-A1 Indolyl derivatives UGT1A8, CYP2C8, UGT1A1 ALOX15 3956/4885ALDH1A1 54/4885KDM4E 2287/4885

“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.