SCHEMBL17040289

SCHEMBL17040289

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nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MME P08473 2/20 0.33
TSHR P16473 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
LTA4H P09960 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12205309 0.79 NOS3 (0.42) SMN1; SMN2ALDH1A1MAPTFAAH
SCHEMBL1348932 0.76 MVD (0.32) KDM4ETSHRACE
SCHEMBL8049858 0.75 MME (0.36) SMN1; SMN2ALDH1A1MAPTFAAHKDM4E
SCHEMBL16274513 0.74 CRBN (0.32)
SCHEMBL9980715 0.69 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPTFAAHKDM4E
SCHEMBL15088189 0.68 MME (0.37) SMN1; SMN2ALDH1A1MAPTFAAHMME
SCHEMBL4940723 0.67 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTFAAHKDM4E
SCHEMBL4940730 0.67 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTFAAHKDM4E
SCHEMBL28571485 0.66 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTFAAHKDM4E
SCHEMBL11312881 0.66 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTFAAHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642825-B2 Bio-available N-acetyl creatine species and compositions thereof ENERGY BEVERAGES LLC 2017-05-09 US disclosed
US-20150238453-A1 BIO-AVAILABLE N-ACETYL CREATINE SPECIES AND COMPOSITIONS THEREOF 4141 HOLDINGS, LLC (US) 2015-08-27 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-20150238453-A1 BIO-AVAILABLE N-ACETYL CREATINE SPECIES AND COMPOSITIONS THEREOF CKMT1A; CKMT1B, RIMKLA, CRAT SMN1; SMN2 1628/4885ALDH1A1 1179/4885MAPT 3731/4885

“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.