SCHEMBL16950325

SCHEMBL16950325

CC(C)(C)Oc1c[c]cc(C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.39
▸ PARP10 Q53GL7 12/20 0.35
▸ PARP2 Q9UGN5 3/20 0.35
▸ PARP4 Q9UKK3 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ PARP15 Q460N3 4/20 0.33
▸ PARP14 Q460N5 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PARP16 Q8N5Y8 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33
▸ TSHR P16473 1/20 0.31

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
SCHEMBL21268167 0.83 SLC6A2 (0.40) PARP1PARP10PARP2PARP4PARP15
SCHEMBL21268412 0.81 ELANE (0.47) PARP1PARP10PARP2PARP4CA1
SCHEMBL2232322 0.80 PARP1 (0.55) PARP1PARP10PARP2PARP4CA1
SCHEMBL16958804 0.77 PARP10 (0.58) PARP1PARP10ALDH1A1KMT2APRSS1
SCHEMBL16955284 0.77 PARP1 (0.40) PARP1PARP10PARP2PARP4CA1
SCHEMBL2155177 0.77 KIF11 (0.33) ALDH1A1
SCHEMBL17046380 0.75 KMT2A (0.47) PARP1PARP10CA1CA2ALDH1A1
SCHEMBL1570178 0.74 PARP1 (0.42) PARP1PARP10PARP2PARP4CA1
SCHEMBL1569898 0.74 ALDH1A1 (0.40) PARP1PARP10PARP2PARP4PARP15
SCHEMBL16957155 0.74 CYP3A4 (0.41) ALDH1A1KMT2A

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 PARP1 2153/4885PARP10 3838/4885PARP2 1502/4885

“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