SCHEMBL17172173

SCHEMBL17172173

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.50
▸ CYP3A4 P08684 3/20 0.41
▸ LTA4H P09960 1/20 0.36
▸ LIPE Q05469 2/20 0.36
▸ SCN9A Q15858 6/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.35

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
SCHEMBL17172168 0.89 CYP19A1 (0.46) CYP19A1SCN9A
SCHEMBL17172211 0.89 LIPE (0.47) CYP19A1LIPESCN9A
SCHEMBL17172218 0.87 CYP3A4 (0.46) CYP19A1CYP3A4
SCHEMBL17172164 0.87 CYP19A1 (0.61) CYP19A1CYP3A4
SCHEMBL17172166 0.84 CYP19A1 (0.51) CYP19A1
SCHEMBL17157429 0.84 CYP19A1 (0.43) CYP19A1SCN9A
SCHEMBL17172192 0.80 CYP19A1 (0.37) CYP19A1CYP3A4LTA4HLIPESCN9A
SCHEMBL17172175 0.78 CYP19A1 (0.53) CYP19A1LIPESCN9A
SCHEMBL17157391 0.78 CYP19A1 (0.46) CYP19A1CYP3A4
SCHEMBL17172182 0.77 CYP19A1 (0.41) CYP19A1CYP3A4LTA4HLIPESCN9A

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.

Send feedback