SCHEMBL589863

SCHEMBL589863

CC(=O)NC(CCc1ccc(Br)cc1)(COC(C)=O)COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FPR2 P25090 1/20 0.35
MAOB P27338 1/20 0.35
ACACB O00763 1/20 0.35
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10168089 0.93 POLB (0.39) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL19592164 0.87 S1PR1 (0.39) KDM4EPOLBLMNATAAR1ACACB
SCHEMBL8499681 0.87 KDM4E (0.46) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL14154507 0.87 NPC1 (0.41) KDM4EKMT2AMEN1LMNATAAR1
SCHEMBL17427771 0.87 ALDH1A1 (0.43) KDM4EPOLBCTDSP1TAAR1ACACB
SCHEMBL8497053 0.86 S1PR1 (0.42) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL5040631 0.86 ALDH1A1 (0.41) KMT2AMEN1MAPTLMNAMAOB
SCHEMBL26078762 0.86 SMN1; SMN2 (0.33) KDM4ETAAR1ALDH1A1SMN1; SMN2
SCHEMBL5035787 0.86 ALDH1A1 (0.47) MAPTPOLBTAAR1ALDH1A1NPC1
SCHEMBL5035826 0.86 ALDH1A1 (0.47) MAPTPOLBTAAR1ALDH1A1NPC1

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 12 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
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-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
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
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 EP disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 US disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 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-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes ADRB2, ADRB1, ADRB3 KDM4E 2540/4885KMT2A 1051/4885MEN1 4672/4885

“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.