SCHEMBL13967232

SCHEMBL13967232

CC(=O)NCC(C)(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
PAOX Q6QHF9 3/20 0.35
CRBN Q96SW2 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL4346271 0.81 CYP2C19 (0.36) KDM4EALDH1A1LMNAALOX15BLM
SCHEMBL18520328 0.78 HIF1A (0.39) KDM4EMAPK1HIF1APAOXTSHR
Hydrochloric Acid SCHEMBL1097195 0.77 NOS1 (0.31) KDM4EALDH1A1LMNAALOX15BLM
SCHEMBL8466979 0.76 CYP2D6 (0.33) ALDH1A1CYP2C9CYP2C19
SCHEMBL6386792 0.75
SCHEMBL787861 0.75
SCHEMBL15726863 0.75
SCHEMBL19851260 0.75
SCHEMBL5509686 0.74 MAOA (0.47) KDM4ETSHRALDH1A1LMNATDP1
SCHEMBL73996 0.74

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-8703976-B2 Manufacturing process for 8-aryloctanoic acids such as Aliskiren MILAN SOUKUP (US) 2014-04-22 US disclosed
US-8703976-B2 Manufacturing process for 8-aryloctanoic acids such as Aliskiren MILAN SOUKUP (US) 2014-04-22 US disclosed
US-20120296100-A1 Manufacturing process for 8-aryloctanoic acids such as Aliskiren CarboDesign LLC (US) 2012-11-22 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-20120296100-A1 Manufacturing process for 8-aryloctanoic acids such as Aliskiren BCKDK, ACSL6, KHK KDM4E 670/4885MAPK1 1728/4885HIF1A 1546/4885

“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.