SCHEMBL17195958

SCHEMBL17195958

CC(C)(C)c1ccc(-c2ccc(C(O)(c3cccnc3)C(C)(C)C)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.57
▸ CYP19A1 P11511 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38

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
SCHEMBL17171920 0.86 KIF11 (0.63) KIF11CYP19A1ALDH1A1HTTKDM4E
SCHEMBL17172234 0.85 KIF11 (0.43) KIF11CYP19A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17157392 0.83 NPY5R (0.44) KIF11CYP19A1GPR55NPC1RAB9A
SCHEMBL17172257 0.83 KIF11 (0.48) KIF11CYP19A1ALDH1A1GPR55CYP3A4
SCHEMBL17172223 0.82 CYP3A4 (0.43) KIF11CYP19A1GPR55CYP3A4CYP3A5
SCHEMBL20609630 0.81 CYP3A4 (0.41) KIF11CYP19A1GPR55CYP3A4CYP3A5
SCHEMBL17172270 0.80 HSD11B1 (0.37) KIF11CYP19A1GPR55CYP3A4CYP3A5
SCHEMBL17172319 0.78 KIF11 (0.52) KIF11ALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL16230666 0.77 SMN1; SMN2 (0.46) CYP19A1SMN1; SMN2KDM4ECYP3A4CYP3A5
SCHEMBL17172249 0.77 ATM (0.41) KIF11CYP19A1CYP3A4

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 2 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
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO 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 (1 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 4670/4885CYP19A1 63/4885ALDH1A1 180/4885

“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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