SCHEMBL24025599

SCHEMBL24025599

CC(C)C(=O)Cc1cc(C=O)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.34
EGFR P00533 2/20 0.33
TYR P14679 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PGR P06401 1/20 0.31
AOX1 Q06278 1/20 0.31
TRIM24 O15164 1/20 0.31
HPGD P15428 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
XDH P47989 2/20 0.31
SLC22A12 Q96S37 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
SCHEMBL13571237 0.79 ALDH1A1 (0.39) ALDH1A1TSHREGFRKDM4EPTGS2
SCHEMBL24025436 0.75 SRC (0.34) ALDH1A1TSHRTYRCYP1A2SLC22A12
SCHEMBL13571069 0.75 ALDH1A1 (0.37) ALDH1A1TSHREGFRKDM4EPTGS2
SCHEMBL18252784 0.74 TSHR (0.47) ALDH1A1TSHRKDM4ERAB9ACYP1A2
SCHEMBL13570798 0.71 TYR (0.42) ALDH1A1TSHREGFRTYRKDM4E
SCHEMBL24025458 0.71 SRC (0.44)
SCHEMBL24025598 0.71 GLA (0.33)
SCHEMBL24025456 0.71 SRC (0.35) TYRCYP1A2
SCHEMBL6899726 0.69 ALDH1A1 (0.47) ALDH1A1TSHREGFRKDM4EPTGS2
SCHEMBL13630983 0.69 ALDH1A1 (0.40) ALDH1A1TSHREGFRKDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210356473-A1 SOLID-PHASE N-TERMINAL PEPTIDE CAPTURE AND RELEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-18 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-20210356473-A1 SOLID-PHASE N-TERMINAL PEPTIDE CAPTURE AND RELEASE ANPEP, MAX, DNPEP ALDH1A1 4880/4885TSHR 1034/4885EGFR 1351/4885

“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.