SCHEMBL25530247

SCHEMBL25530247

CC(CC(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 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
SCHEMBL17886857 0.80
SCHEMBL269050 0.78 ALDH1A1 (0.48) ALDH1A1TDP1KMT2A
SCHEMBL14321595 0.77 CYP2D6 (0.34) ALDH1A1TDP1KMT2A
SCHEMBL14035478 0.76 MAPK1 (0.35) ALDH1A1TDP1KMT2A
SCHEMBL20711453 0.76 SLC22A6 (0.41) ALDH1A1TDP1
SCHEMBL13543295 0.76 MAPK1 (0.35) ALDH1A1TDP1KMT2A
SCHEMBL23913764 0.76 SLC22A6 (0.41) ALDH1A1TDP1
SCHEMBL14346986 0.76 ALDH1A1 (0.52) ALDH1A1TDP1
SCHEMBL18561859 0.76 ALDH1A1 (0.52) ALDH1A1TDP1
SCHEMBL6563687 0.76 ALDH1A1 (0.52) ALDH1A1TDP1

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof Shanghai Institute of Material Medica, Chinese Academy of Sciences (CN) 2023-05-23 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 (2 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 ALDH1A1 3752/4885TDP1 4219/4885KMT2A 4067/4885
US-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof DDR2, DDR1, DOCK2 ALDH1A1 3898/4885TDP1 381/4885KMT2A 1783/4885

“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.