SCHEMBL6540562

SCHEMBL6540562

COc1ccccc1Sc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
PTGIR P43119 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TSHR P16473 1/20 0.44
CYP2A6 P11509 1/20 0.44
TTR P02766 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
HTT P42858 1/20 0.41
ITGAL P20701 2/20 0.41
SLC6A9 P48067 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
SCHEMBL10486972 0.81 TTR (0.55) ALDH1A1TSHRTTRCYP1A1CYP1A2
SCHEMBL5113878 0.81 TTR (0.55) ALDH1A1TSHRTTRCYP1A1CYP1A2
SCHEMBL3289071 0.80 AR (0.56) ARPTGIRALDH1A1HAO1SLC6A9
SCHEMBL2887154 0.79 AR (0.55) ARPTGIRALDH1A1HAO1HTT
SCHEMBL31345522 0.79 AR (0.55) ARPTGIRALDH1A1CYP1A2HAO1
SCHEMBL6540847 0.78 FBP1 (0.54) ARALDH1A1HPGDHTTKMT2A
SCHEMBL6540844 0.78 FBP1 (0.54) ARALDH1A1HPGDHTTKMT2A
SCHEMBL23720058 0.77 AR (0.54) ARPTGIRALDH1A1TSHRHAO1
SCHEMBL15418635 0.77 AR (0.54) ARPTGIRALDH1A1HAO1SLC6A9
SCHEMBL29363270 0.77 AR (0.54) ARPTGIRALDH1A1HAO1SLC6A9

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
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 AR 36/4885PTGIR 714/4885ALDH1A1 188/4885

“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.