SCHEMBL15905917

SCHEMBL15905917

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
TRPA1 O75762 1/20 0.33

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
SCHEMBL6448088 0.80 ALDH1A1 (0.46) ALDH1A1TDP1TRPA1
SCHEMBL6448085 0.80 ALDH1A1 (0.46) ALDH1A1TDP1TRPA1
SCHEMBL9117622 0.77 SLC22A6 (0.43) TDP1
SCHEMBL10034531 0.74 ECE1 (0.35) ALDH1A1TDP1
SCHEMBL6563687 0.74 ALDH1A1 (0.52) ALDH1A1TDP1TRPA1
SCHEMBL18561859 0.74 ALDH1A1 (0.52) ALDH1A1TDP1TRPA1
SCHEMBL5605167 0.74 ALDH1A1 (0.46) ALDH1A1TDP1TRPA1
SCHEMBL14346986 0.74 ALDH1A1 (0.52) ALDH1A1TDP1TRPA1
SCHEMBL5783087 0.72 ALDH1A1 (0.43) ALDH1A1TDP1TRPA1
SCHEMBL15905914 0.72 ALDH1A1 (0.50) ALDH1A1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-9732029-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9725402-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS, INC. 2014-11-13 US disclosed
US-8791134-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-29 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-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 ALDH1A1 624/4885TDP1 856/4885TRPA1 1812/4885
US-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF ACE2, ACE, SARS1 ALDH1A1 3956/4885TDP1 3140/4885TRPA1 3707/4885

“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.