SCHEMBL25554151

SCHEMBL25554151

COC(=O)C1=Cc2cc(C)ccc2CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.53
CA9 Q16790 9/20 0.53
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 3/20 0.40
CCR5 P51681 2/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NR4A2 P43354 2/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL10529566 0.83 HSD17B3 (0.38) CA12CA9CA2NR4A2
SCHEMBL10352783 0.82 CCR5 (0.39) CA12CA9TDP1CCR5KDM4E
SCHEMBL25213039 0.81 CFTR (0.48) CA12CA9TDP1CA2KDM4E
SCHEMBL7911204 0.79 CA12 (0.50) CA12CA9CA2KDM4EHPGD
SCHEMBL31090834 0.79 CA12 (0.50) CA12CA9CA2KDM4EHPGD
SCHEMBL10439343 0.76 KDM4E (0.41) CA12CA9CA2KDM4E
SCHEMBL7216486 0.76 CA12 (0.41) CA12CA9CA2POLB
SCHEMBL947578 0.75 KDM4E (0.43) CA12CA9CA2KDM4E
SCHEMBL5694225 0.75 CA12 (0.44) CA12CA9CA2
SCHEMBL7218351 0.75 CA12 (0.52) CA12CA9TDP1CA2KDM4E

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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CA12 4119/4885CA9 2868/4885TDP1 75/4885

“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.