SCHEMBL5736788

SCHEMBL5736788

CCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cn1)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.58
ALDH1A1 P00352 1/20 0.52
P4HTM Q9NXG6 1/20 0.50
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
MAOB P27338 1/20 0.43
PRMT5 O14744 2/20 0.42
ALOX5 P09917 2/20 0.42
NMT1 P30419 2/20 0.42
NMT2 O60551 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL5736793 1.00 NR1H4 (0.58) NR1H4ALDH1A1P4HTMLMNAL3MBTL1
SCHEMBL13427742 0.89 NR1H4 (0.59) NR1H4ALDH1A1P4HTMLMNAL3MBTL1
SCHEMBL1563369 0.89 NR1H4 (0.59) NR1H4ALDH1A1P4HTMLMNAL3MBTL1
SCHEMBL2804643 0.83 NR1H4 (0.79) NR1H4ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2804642 0.83 NR1H4 (0.79) NR1H4ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2807676 0.83 NR1H4 (0.79) NR1H4ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL13754900 0.79 NR1H4 (0.47) NR1H4ALDH1A1P4HTMMEN1KMT2A
SCHEMBL1563358 0.79 MAOB (0.51) NR1H4ALDH1A1MAOBALOX5
SCHEMBL13754898 0.79 MAOB (0.51) NR1H4ALDH1A1MAOBALOX5
SCHEMBL1562632 0.79 NR1H4 (0.47) NR1H4ALDH1A1P4HTMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615899-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACIDS AS PPAR MODULATORS PFIZER INC. (US) 2006-01-18 EP disclosed
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 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 (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-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD NR1H4 70/4885ALDH1A1 177/4885P4HTM 3473/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD NR1H4 70/4885ALDH1A1 177/4885P4HTM 3473/4885

“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.