SCHEMBL17171867

SCHEMBL17171867

COc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.50
▸ CYP17A1 P05093 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ ESR2 Q92731 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ DEGS1 O15121 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL11153024 0.95 CYP19A1 (0.54) CYP19A1CYP17A1CYP3A4AOC3MAPK1
SCHEMBL17172233 0.85 CYP19A1 (0.42) CYP19A1CYP17A1CYP3A4ESR2KMT2A
SCHEMBL17185897 0.84 ABL1 (0.41) CYP19A1
SCHEMBL17159520 0.84 ABL1 (0.41) CYP19A1
SCHEMBL17171891 0.84 KIF11 (0.48) CYP19A1CYP3A4
SCHEMBL17171860 0.83 DRD1 (0.38) CYP19A1CYP17A1CYP3A4
SCHEMBL17171863 0.83 ATM (0.47) CYP19A1CYP17A1CYP3A4
SCHEMBL17171869 0.83 CYP19A1 (0.59) CYP19A1CYP17A1CYP3A4KMT2A
SCHEMBL13772981 0.82 CA1 (0.50) ESR2KMT2AAOC3MAPK1MAPT
SCHEMBL17171861 0.81 CYP19A1 (0.54) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957252-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 — — US disclosed
US-9957252-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 — — US disclosed
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2017-08-17 — — US disclosed
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2017-08-17 — — US disclosed
US-9663491-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
US-9663491-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
WO-2015160664-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
US-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291557-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-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885CYP17A1 46/4885CYP3A4 89/4885
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885CYP17A1 46/4885CYP3A4 89/4885

“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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