SCHEMBL16952673

SCHEMBL16952673

CC(C)Oc1ccc[c]c1C#N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
VEGFA P15692 1/20 0.33
MCHR1 Q99705 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
XDH P47989 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL6735306 0.82 KCNN4 (0.33)
SCHEMBL16957353 0.82 IRAK4 (0.35) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL1191364 0.79 CA1 (0.41) ALDH1A1CA1CA2CA7CA9
SCHEMBL27567066 0.78 ALDH1A1 (0.36) ALDH1A1XDHADRA2AADRA2B
SCHEMBL7774074 0.75 MAPT (0.40) ALDH1A1
SCHEMBL16952938 0.75 KCNH2 (0.31)
SCHEMBL16960318 0.73 IRAK4 (0.39) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL1819088 0.73 IRAK4 (0.39) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL16957900 0.72 MCHR1 (0.36) ALDH1A1MCHR1
SCHEMBL9673377 0.72 IRAK4 (0.42) IRAK4ALDH1A1ACHEMCHR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP 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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX IRAK4 4176/4885ALDH1A1 1019/4885ACHE 746/4885

“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.