SCHEMBL21721638

SCHEMBL21721638

COc1cc(C(C)(C)C)c(C)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ CA2 P00918 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ ALOX15 P16050 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XPO1 O14980 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ATP2A2 P16615 1/20 0.31

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
SCHEMBL21721317 0.77 CA1 (0.36) PTGS2PTGS1CA2CA1ALOX15
SCHEMBL21721251 0.77 CA1 (0.41) PTGS2PTGS1CA2CA1ALOX15
SCHEMBL21721330 0.77 CA1 (0.36) PTGS2PTGS1CA2CA1ALOX15
SCHEMBL21721639 0.75 CNR2 (0.37) —
SCHEMBL14849749 0.74 — —
SCHEMBL14817559 0.72 ALDH1A1 (0.37) CA2CA1ALOX15LMNATP53
SCHEMBL21721588 0.71 XPO1 (0.35) CA2CA1XPO1
SCHEMBL8639554 0.70 NR3C1 (0.40) ALOX15LMNAPOLBMAPT
SCHEMBL21737787 0.68 ALDH1A1 (0.34) PTGS2PTGS1CA2CA1ALOX15
SCHEMBL21720039 0.68 SMN1; SMN2 (0.34) CA2CA1ALOX15TP53ALDH1A1

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
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 (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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK PTGS2 1052/4885PTGS1 499/4885CA2 3320/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PTGS2 1052/4885PTGS1 499/4885CA2 3320/4885

“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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