SCHEMBL17172168

SCHEMBL17172168

OC(c1cncnc1)(c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.46
▸ MMP9 P14780 3/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ ABL1 P00519 8/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ GRIN2B Q13224 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL17172173 0.89 CYP19A1 (0.50) CYP19A1SCN9A
SCHEMBL17157391 0.88 CYP19A1 (0.46) CYP19A1KCNH2CCR6ABL1NPY2R
SCHEMBL17172164 0.86 CYP19A1 (0.61) CYP19A1
SCHEMBL17172166 0.83 CYP19A1 (0.51) CYP19A1
SCHEMBL17185795 0.83 MMP2 (0.37) CYP19A1MMP9MMP2KCNH2MMP14
SCHEMBL17157429 0.83 CYP19A1 (0.43) CYP19A1SCN9A
SCHEMBL7713437 0.82 CYP19A1 (0.67) CYP19A1KCNH2CCR6ABL1NPY2R
SCHEMBL17157419 0.82 MMP2 (0.37) CYP19A1MMP9MMP2MMP14CCR6
SCHEMBL17172211 0.81 LIPE (0.47) CYP19A1KCNH2SCN5ASCN9A
SCHEMBL17157378 0.81 CYP19A1 (0.44) CYP19A1ABL1

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 63/4885MMP9 151/4885MMP2 211/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885MMP9 151/4885MMP2 211/4885

“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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