SCHEMBL10168089

SCHEMBL10168089

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
RECQL P46063 1/20 0.33
FPR2 P25090 1/20 0.33
THRB P10828 1/20 0.33
ACACB O00763 1/20 0.33
MAOB P27338 1/20 0.33
MCHR1 Q99705 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
SCHEMBL589863 0.93 KDM4E (0.39) POLBCTDSP1KMT2AKDM4EMEN1
SCHEMBL19588728 0.90 ALDH1A1 (0.41) POLBCTDSP1KMT2AKDM4EALDH1A1
SCHEMBL10168093 0.85 S1PR1 (0.39)
SCHEMBL13968229 0.85 THRB (0.32) ALDH1A1SMN1; SMN2TAAR1RECQLTHRB
SCHEMBL7712377 0.85 S1PR1 (0.46) ALDH1A1THRB
SCHEMBL19592164 0.84 S1PR1 (0.39) POLBKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL17427771 0.84 ALDH1A1 (0.43) POLBCTDSP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10168084 0.82 MEN1 (0.39) POLBCTDSP1KMT2AKDM4EMEN1
SCHEMBL8499681 0.81 KDM4E (0.46) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL14154507 0.81 NPC1 (0.41) KMT2AKDM4EMEN1LMNAALDH1A1

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 5 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

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 POLB 2121/4885CTDSP1 3725/4885KMT2A 1051/4885

“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.