SCHEMBL25986454

SCHEMBL25986454

CC(C)(C)Cc1ccc(OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALPG P10696 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ PDE7A Q13946 1/20 0.38

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
SCHEMBL13153013 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL24835469 0.84 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL6742480 0.78 ALOX15 (0.48) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL14094661 0.78 CYP19A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTALPG
SCHEMBL15858815 0.78 TSHR (0.56) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL13153017 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL7823977 0.78 KMT2A (0.53) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL23169316 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL9969438 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL20718709 0.77 ESR1 (0.42) ALDH1A1

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-11730817-B2 Pro-cyclic dinucleotides and pro-cyclic dinucleotide conjugates for cytokine induction INVIVOGEN (FR) 2023-08-22 — — 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-11730817-B2 Pro-cyclic dinucleotides and pro-cyclic dinucleotide conjugates for cytokine induction STING1, CGAS, TLR9 ALDH1A1 4585/4885SMN1; SMN2 2724/4885LMNA 377/4885

“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.

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