SCHEMBL16952984

SCHEMBL16952984

CCCCc1c[c]cc(OCCCl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CNR1 P21554 14/20 0.35
CNR2 P34972 12/20 0.35
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 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
SCHEMBL16962656 0.90 ALDH1A1 (0.33) FUT7CNR1CNR2MEN1ALDH1A1
SCHEMBL16955062 0.90 CA1 (0.40) FUT7CA1CA2CA9CNR1
SCHEMBL17046278 0.88 CA1 (0.39) FUT7CA1CA2CA9CNR1
SCHEMBL17046263 0.84 MAPK1 (0.46) CA1CA2CA9CNR1CNR2
SCHEMBL16961037 0.83 CA2 (0.40) FUT7CA1CA2CA9CNR1
SCHEMBL16955169 0.83 CA1 (0.40) CA1CA2CA9CNR1CNR2
SCHEMBL16952993 0.83 ALDH1A1 (0.33) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL16951752 0.80 PTGS2 (0.49) FUT7CA1CA2CA9PTGS2
SCHEMBL17046298 0.79 LTA4H (0.36) CA1CA2CA9PTGS2MEN1
SCHEMBL17046349 0.78 LMNA (0.38) CA1CA2CA9PTGS2ALDH1A1

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 FUT7 2713/4885CA1 571/4885CA2 86/4885

“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.