SCHEMBL5529534

SCHEMBL5529534

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CTH P32929 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
GGT1 P19440 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL1407278 0.79
SCHEMBL28738431 0.79
Hydrochloric Acid SCHEMBL2310467 0.77 KDM4E (0.41) HMGCRCHRM1TBXA2RADRA1AKDM4E
Malonic Acid SCHEMBL9278941 0.73 LDHA (0.43) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL1717828 0.73 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL41886 0.73
SCHEMBL12003332 0.71 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AKDM4E
Hydrochloric Acid SCHEMBL1092821 0.70 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1AKDM4E
Hydrochloric Acid SCHEMBL28883817 0.70 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL242144 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070172925-A1 Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound NIPPON SHINYAKU CO., LTD. (JP) 2007-07-26 US disclosed
EP-1710249-A1 RIBONUCLEIC ACID COMPOUND AND METHOD OF LIQUID-PHASE SYNTHESIS OF OLIGONUCLEIC ACID COMPOUND Nippon Shinyaku Co., Ltd. (JP) 2006-10-11 EP disclosed
US-20040058886-A1 Short interfering RNAs having a hairpin structure containing a non-nucleotide loop DHARMACON, INC. 2004-03-25 US disclosed
WO-2004015075-A2 SHORT INTERFERING RNAS HAVING A HAIRPIN STRUCTURE CONTAINING A NON-NUCLEOTIDE LOOP DHARMACON, INC. (US) 2004-02-19 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-20070172925-A1 Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound RNASEH1, NSUN2, POLR2H HMGCR 2842/4885CHRM1 4166/4885TBXA2R 3035/4885

“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.