SCHEMBL17172194

SCHEMBL17172194

CC(C)(C)C#CC(O)(c1cncnc1)c1ccc(Oc2ccc(Cl)cn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 4/20 0.36
▸ CYP19A1 P11511 6/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DAGLA Q9Y4D2 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ SCN9A Q15858 3/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP3A5 P20815 1/20 0.30

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
SCHEMBL17157488 0.89 CYP19A1 (0.40) CYP19A1CYP3A4CYP3A5
SCHEMBL17172195 0.88 ALDH1A1 (0.35) LIPECYP19A1KDM4EPOLBRAB9A
SCHEMBL17172186 0.84 CYP19A1 (0.32) CYP19A1
SCHEMBL17172214 0.83 L3MBTL1 (0.35) —
SCHEMBL17172198 0.80 CYP19A1 (0.39) LIPECYP19A1KDM4EPOLBRAB9A
SCHEMBL17172167 0.80 LIPE (0.37) LIPECYP19A1MAPTKMT2ADAGLA
SCHEMBL17172181 0.79 CYP19A1 (0.39) LIPECYP19A1RAB9AMAPTSCN9A
SCHEMBL17172179 0.78 ABL1 (0.36) RAB9ASCN9ACYP3A4
SCHEMBL17172175 0.77 CYP19A1 (0.53) LIPECYP19A1MAPTKMT2ADAGLA
SCHEMBL17172190 0.74 CYP19A1 (0.44) CYP19A1CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM LIPE 404/4885CYP19A1 63/4885KDM4E 2055/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM LIPE 404/4885CYP19A1 63/4885KDM4E 2055/4885

“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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