SCHEMBL23399688

SCHEMBL23399688

Cc1[nH]n(C(C)(C)C)c(=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ ALKBH3 Q96Q83 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL23400217 0.77 GAA (0.38) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401810 0.74 GAA (0.36) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23402202 0.74 ALDH1A1 (0.42) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401440 0.74 GAA (0.39) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23400083 0.71 GAA (0.34) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401209 0.71 KDM4E (0.43) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23400038 0.70 GAA (0.33) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23398561 0.70 GAA (0.40) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23398911 0.70 GAA (0.40) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401526 0.69 GAA (0.49) GAACYP2C9CYP2C19ALDH1A1MEN1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. 2017-01-05 — — 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-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM GAA 2736/4885CYP2C9 1211/4885CYP2C19 1414/4885

“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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