SCHEMBL17171863

SCHEMBL17171863

CC(C)(C)C(O)(c1ccc(-c2ccccc2)cc1)c1cncnc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ CYP19A1 P11511 13/20 0.46
▸ CYP3A4 P08684 2/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP3A5 P20815 1/20 0.39

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
SCHEMBL17171891 0.88 KIF11 (0.48) CYP19A1CYP3A4KIF11CYP3A5
SCHEMBL17171869 0.87 CYP19A1 (0.59) CYP19A1CYP3A4CYP17A1CYP3A5
SCHEMBL17171861 0.85 CYP19A1 (0.54) CYP19A1KIF11
SCHEMBL17172249 0.83 ATM (0.41) ATMCYP19A1CYP3A4CYP17A1KIF11
SCHEMBL17171867 0.83 CYP19A1 (0.50) CYP19A1CYP3A4CYP17A1
SCHEMBL17171881 0.81 KIF11 (0.51) CYP19A1CYP3A4KIF11CYP3A5
SCHEMBL17171886 0.80 CYP19A1 (0.43) ATMCYP19A1CYP3A4CYP17A1CYP3A5
SCHEMBL17171884 0.80 CYP11B2 (0.42) ATMCYP19A1CYP3A4KIF11CYP3A5
SCHEMBL17159521 0.79 CYP19A1 (0.53) CYP19A1CYP3A4CYP3A5
SCHEMBL17159520 0.79 ABL1 (0.41) CYP19A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957252-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 — — US disclosed
US-9957252-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 — — US disclosed
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2017-08-17 — — US disclosed
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2017-08-17 — — US disclosed
US-9663491-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
US-9663491-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
WO-2015160664-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
US-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — 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-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ATM 4210/4885CYP19A1 63/4885CYP3A4 89/4885
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ATM 4210/4885CYP19A1 63/4885CYP3A4 89/4885

“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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