SCHEMBL17172198

SCHEMBL17172198

CCC(O)(c1cncnc1)c1ccc(Oc2ccc(Cl)cn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.39
▸ LIPE Q05469 2/20 0.37
▸ DAGLA Q9Y4D2 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ P2RX3 P56373 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
SCHEMBL17157524 0.88 CYP19A1 (0.46) CYP19A1CYP1A2CYP3A4CYP2C9
SCHEMBL17172199 0.87 RAB9A (0.38) CYP19A1LIPEPPARGMAPTKMT2A
SCHEMBL17172184 0.83 CYP19A1 (0.37) CYP19A1MAPT
SCHEMBL17172213 0.82 L3MBTL1 (0.37) CYP19A1PPARGCYP3A4P2RX3
SCHEMBL17172167 0.82 LIPE (0.37) CYP19A1LIPEDAGLACYP3A4MAPT
SCHEMBL17172194 0.80 LIPE (0.36) CYP19A1LIPEDAGLACYP3A4MAPT
SCHEMBL17172175 0.79 CYP19A1 (0.53) CYP19A1LIPEDAGLAMAPTKMT2A
SCHEMBL17172182 0.78 CYP19A1 (0.41) CYP19A1LIPECYP3A4LTA4H
SCHEMBL17172180 0.77 CCR6 (0.38) CYP3A4CYP2C9RAB9A
SCHEMBL17172174 0.74 CYP19A1 (0.40) CYP19A1CYP3A4

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 CYP19A1 63/4885LIPE 404/4885DAGLA 2993/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885LIPE 404/4885DAGLA 2993/4885

“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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