SCHEMBL589887

SCHEMBL589887

CC(=O)NC(CCc1ccc(-c2cccc3c(OCc4ccccc4)cccc23)cc1)(COC(C)=O)COC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PTGER1 P34995 3/20 0.39
SLC13A5 Q86YT5 1/20 0.38
PRKCA P17252 1/20 0.38
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
MCL1 Q07820 1/20 0.36
FFAR1 O14842 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
SCHEMBL10209159 0.87 S1PR1 (0.37) SLC13A5ALDH1A1MCL1
SCHEMBL591389 0.83 SLC13A5 (0.35) SLC13A5
SCHEMBL590217 0.83 SLC13A5 (0.34) SLC13A5
SCHEMBL15925839 0.83 SLC13A5 (0.34) SLC13A5
SCHEMBL8500326 0.82 FFAR1 (0.50) LTB4RLTB4R2ALDH1A1MAPTMEN1
SCHEMBL589074 0.81 SLC13A5 (0.34) SLC13A5MAPTMEN1KMT2AFFAR1
SCHEMBL5399646 0.80 MMP12 (0.44) SLC13A5ALDH1A1FFAR1
SCHEMBL5035826 0.80 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL5035787 0.80 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL589077 0.76 S1PR1 (0.36) ALDH1A1MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 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-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes ADRB2, ADRB1, ADRB3 BRD4 202/4885RXRA 248/4885RXRB 103/4885

“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.