SCHEMBL3205836

SCHEMBL3205836

CCOc1cc(Br)ccc1OCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
GLA P06280 1/20 0.65
PTGDR2 Q9Y5Y4 8/20 0.63
TSHR P16473 4/20 0.55
POLB P06746 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PTGDR Q13258 1/20 0.52
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
Acetic Acid SCHEMBL10998868 0.88 TSHR (0.53) L3MBTL1GLAPTGDR2TSHRPOLB
SCHEMBL4009680 0.85 PTGDR2 (0.65) L3MBTL1PTGDR2TSHRPOLBCTDSP1
SCHEMBL16294073 0.85 PTGDR2 (0.65) L3MBTL1PTGDR2TSHRPOLBCTDSP1
SCHEMBL20505190 0.84 CYSLTR2 (0.51) L3MBTL1GLAPTGDR2TSHRPOLB
SCHEMBL27642138 0.84 ALDH1A1 (0.52) L3MBTL1GLAPTGDR2TSHRPOLB
SCHEMBL182753 0.84 TSHR (0.56) L3MBTL1TSHRPOLBTDP1MEN1
SCHEMBL31096231 0.84 TSHR (0.56) L3MBTL1TSHRPOLBTDP1MEN1
SCHEMBL14363092 0.82 L3MBTL1 (0.67) L3MBTL1GLAPTGDR2TSHRPOLB
SCHEMBL5699506 0.82 PTGDR2 (0.77) L3MBTL1GLAPTGDR2TSHRPOLB
SCHEMBL16559854 0.81 ALDH1A1 (0.55) L3MBTL1PTGDR2TSHRPOLBMEN1

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
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP 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-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A L3MBTL1 2177/4885GLA 2228/4885PTGDR2 571/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A L3MBTL1 2177/4885GLA 2228/4885PTGDR2 571/4885

“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.