SCHEMBL2532202

SCHEMBL2532202

CC(C)Oc1cccc(C(=O)O)c1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.53
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
ACHE P22303 1/20 0.42
HTT P42858 1/20 0.41
KCNK3 O14649 2/20 0.41

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
SCHEMBL31388741 0.83 TAS2R14 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL104892 0.82 IRAK4 (0.70) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11601795 0.82 KCNK3 (0.56) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30625923 0.81 IRAK4 (0.54) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3636037 0.81 IRAK4 (0.54) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27747076 0.81 IRAK4 (0.54) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1818841 0.81 IRAK4 (0.54) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1030835 0.80 HTT (0.58) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10763308 0.80 IRAK4 (0.68) IRAK4ALDH1A1KDM4EHPGDHSD17B10
Bicarbonate SCHEMBL21811920 0.80 IRAK4 (0.68) IRAK4ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110256238-A1 WOOD PRESERVATIVE AND WOOD PROCESSING METHOD SDS BIOTECH K.K. (JP) 2011-10-20 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-20110256238-A1 WOOD PRESERVATIVE AND WOOD PROCESSING METHOD CYP51A1, HPD, AKR7A2 IRAK4 1185/4885ALDH1A1 162/4885KDM4E 383/4885

“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.