SCHEMBL16961985

SCHEMBL16961985

CC(C)COc1c[c]cc(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ NR1H4 Q96RI1 4/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ PARP10 Q53GL7 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KAT6A Q92794 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ FOS P01100 2/20 0.36
▸ JUN P05412 2/20 0.36

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
SCHEMBL21268231 0.85 NR1H4 (0.49) NR1H4MAPTKAT6AFOSJUN
SCHEMBL17046354 0.83 XDH (0.46) NR1H4MAPTKDM4EALDH1A1PRKD3
SCHEMBL16958804 0.81 PARP10 (0.58) MAPTALDH1A1MAPK8PARP10HTT
SCHEMBL17046380 0.79 KMT2A (0.47) NR1H4MAPTALDH1A1PARP10SMN1; SMN2
SCHEMBL1569898 0.78 ALDH1A1 (0.40) KDM4EALDH1A1PARP10HTTRAB9A
SCHEMBL2232322 0.78 PARP1 (0.55) ALDH1A1PARP10HTTPARP1TSHR
SCHEMBL13704013 0.77 PARP10 (0.44) SIRT2NR1H4MAPTKDM4EALDH1A1
SCHEMBL7260601 0.77 PARP1 (0.60) SIRT2NR1H4MAPTALDH1A1PARP10
SCHEMBL16961336 0.77 PLA2G2A (0.47) PARP10SMN1; SMN2NPC1TP53GAA
SCHEMBL9071474 0.76 GCK (0.53) SIRT2NR1H4PARP10TSHR

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 SIRT2 1707/4885NR1H4 3804/4885MAPT 4724/4885

“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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