SCHEMBL17172234

SCHEMBL17172234

CC(C)(C)c1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.43
▸ DGAT1 O75907 1/20 0.42
▸ CYP19A1 P11511 7/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHB4 P54760 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL17172248 0.90 CYP19A1 (0.37) KIF11DGAT1CYP19A1ALOX5AP
SCHEMBL17157445 0.89 CYP19A1 (0.38) KIF11DGAT1CYP19A1ALOX5AP
SCHEMBL17172235 0.89 CYP19A1 (0.47) KIF11CYP19A1TEK
SCHEMBL17196173 0.89 CYP19A1 (0.47) KIF11DGAT1CYP19A1EPHB4TEK
SCHEMBL17172249 0.89 ATM (0.41) KIF11DGAT1CYP19A1
SCHEMBL17172208 0.89 CYP19A1 (0.47) CYP19A1
SCHEMBL17157338 0.87 CYP19A1 (0.33) DGAT1CYP19A1ALOX5AP
SCHEMBL20052083 0.87 CYP19A1 (0.33) DGAT1CYP19A1ALOX5AP
SCHEMBL17172250 0.87 CYP19A1 (0.46) CYP19A1
SCHEMBL17157418 0.86 NR1H2 (0.34) CYP19A1ALOX5AP

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 KIF11 4670/4885DGAT1 1646/4885CYP19A1 63/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM KIF11 4670/4885DGAT1 1646/4885CYP19A1 63/4885

“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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