SCHEMBL21719145

SCHEMBL21719145

COc1cnc(Cl)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PDK2 Q15119 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL27814608 0.83 PIK3CD (0.45) GAAPDK2
SCHEMBL24656018 0.78 CA1 (0.48) CA1CA2ALDH1A1GAAPDK2
SCHEMBL22949457 0.78 CA1 (0.53) CA1CA2ALDH1A1GAAPDK2
SCHEMBL24922437 0.78 CA1 (0.48) CA1CA2ALDH1A1GAAPDK2
SCHEMBL20843988 0.77 CA1 (0.47) CA1CA2ALDH1A1GAAPDK2
SCHEMBL5942319 0.75 CHRNB2 (0.41) ALDH1A1PIK3CAMTOR
SCHEMBL10264977 0.75 HTT (0.33) CA1CA2ALDH1A1GAALMNA
SCHEMBL21719496 0.74 KDM4E (0.36) CA1CA2ALDH1A1LMNATP53
SCHEMBL15218366 0.74 ALDH1A1 (0.41) CA2ALDH1A1TP53ALOX15
SCHEMBL5942363 0.74 PIK3CA (0.38) ALDH1A1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (4 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-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A CA1 4430/4885CA2 4296/4885ALDH1A1 2786/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CA1 4296/4885CA2 3320/4885ALDH1A1 894/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A CA1 4430/4885CA2 4296/4885ALDH1A1 2786/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CA1 4296/4885CA2 3320/4885ALDH1A1 894/4885

“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.