SCHEMBL4540277

SCHEMBL4540277

Cc1ccc2ccc3cccc4c(O)cc1c2c34

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 4/20 0.59
TSHR P16473 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP3A4 P08684 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 9/20 0.45
THRB P10828 3/20 0.45
CYP2A6 P11509 4/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
FYN P06241 2/20 0.41
ACHE P22303 2/20 0.41
AHR P35869 2/20 0.41
ERBB2 P04626 1/20 0.41
MAOA P21397 1/20 0.41
TRPM4 Q8TD43 1/20 0.41
GLO1 Q04760 1/20 0.40
NQO2 P16083 1/20 0.39

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
SCHEMBL22170093 0.82 HSD17B10 (0.54) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL27726467 0.82 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL29589319 0.79 CYP1A2 (0.57) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL2047161 0.79 CYP1A2 (0.57) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL9642452 0.78 CYP1A2 (0.47) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL2164932 0.77 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL29036861 0.77 CYP1A2 (0.41) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL22170103 0.76 CYP1A2 (0.53) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL12401850 0.75 TDP1 (0.61) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL27289661 0.75 TDP1 (0.61) ALDH1A1HPGDHSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884056-A Compounds and methods for preparing conjugates REDWOOD BIOSCIENCE INC 2015-09-02 CN disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 ALDH1A1 787/4885HPGD 282/4885HSD17B10 2927/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885HPGD 169/4885HSD17B10 3172/4885

“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.