SCHEMBL4811697

SCHEMBL4811697

COc1cc(C(=O)OCc2ccccc2)ccc1-c1ccc(OCCN[C@@H](C)[C@@H](O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 9/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ SMPD1 P17405 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL4811685 1.00 ADRB3 (0.40) ADRB3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4814901 0.90 ALDH1A1 (0.38) ADRB3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4814918 0.90 ALDH1A1 (0.38) ADRB3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5699493 0.88 ADRB3 (0.47) ADRB3ADRA1DADRA1AADRA1B
SCHEMBL4810264 0.88 ADRB3 (0.47) ADRB3ADRA1DADRA1AADRA1B
SCHEMBL4810262 0.88 ADRB3 (0.47) ADRB3ADRA1DADRA1AADRA1B
SCHEMBL4809396 0.86 ADRB3 (0.46) ADRB3SMN1; SMN2
SCHEMBL4809407 0.86 ADRB3 (0.46) ADRB3SMN1; SMN2
SCHEMBL4816225 0.85 ADRB3 (0.40) ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4816218 0.85 ADRB3 (0.40) ADRB3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 — — US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 — — US 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

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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A ADRB3 5/4885MEN1 4166/4885ALDH1A1 106/4885

“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.

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