SCHEMBL25564460

SCHEMBL25564460

CC(C)(C)N1CCCC(NC2CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL2421484 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2422221 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL25069386 0.91 ALDH1A1 (0.33) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL20235023 0.89 ALDH1A1 (0.35) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL25069568 0.86 ALDH1A1 (0.37) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL25538020 0.83 KDM1A (0.30)
SCHEMBL24091124 0.83 SIGMAR1 (0.30) SIGMAR1
SCHEMBL25538013 0.83 SIGMAR1 (0.30) SIGMAR1
SCHEMBL8260651 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL21004528 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1

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-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

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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 ALDH1A1 3752/4885HSD17B10 3006/4885THRB 4623/4885

“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.