SCHEMBL17172192

SCHEMBL17172192

OC(C#CC1CC1)(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ LTA4H P09960 1/20 0.34
▸ LIPE Q05469 2/20 0.34
▸ SCN9A Q15858 5/20 0.33
▸ TRPC6 Q9Y210 1/20 0.33
▸ TTBK1 Q5TCY1 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ PLAAT3 P53816 1/20 0.32
▸ PLAAT5 Q96KN8 1/20 0.32
▸ PLAAT2 Q9NWW9 1/20 0.32
▸ PLAAT4 Q9UL19 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
SCHEMBL17172193 0.90 ABL1 (0.35) CYP19A1CYP3A4SCN9AMMP2MMP3
SCHEMBL17172188 0.88 CYP19A1 (0.41) CYP19A1CYP3A4
SCHEMBL17172181 0.83 CYP19A1 (0.39) CYP19A1CYP3A4LIPESCN9ATTBK1
SCHEMBL17172173 0.80 CYP19A1 (0.50) CYP19A1CYP3A4LTA4HLIPESCN9A
SCHEMBL17157428 0.74 CYP3A4 (0.41) CYP19A1CYP3A4LIPESCN9ATTBK1
SCHEMBL17172182 0.74 CYP19A1 (0.41) CYP19A1CYP3A4LTA4HLIPESCN9A
SCHEMBL17172179 0.73 ABL1 (0.36) CYP3A4SCN9A
SCHEMBL17157488 0.70 CYP19A1 (0.40) CYP19A1CYP3A4
SCHEMBL17172218 0.70 CYP3A4 (0.46) CYP19A1CYP3A4
SCHEMBL17172168 0.70 CYP19A1 (0.46) CYP19A1SCN9AMMP2MMP3MMP9

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 63/4885CYP3A4 89/4885LTA4H 845/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885CYP3A4 89/4885LTA4H 845/4885

“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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