SCHEMBL17046367

SCHEMBL17046367

CCCOc1c[c]cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
PDK2 Q15119 1/20 0.35
FAAH O00519 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
LTA4H P09960 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 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
SCHEMBL16956356 0.91 FAAH (0.42) L3MBTL1PDK2FAAHALDH1A1LTA4H
SCHEMBL9682560 0.85 L3MBTL1 (0.43) L3MBTL1CYP1A1CYP1B1PDK2LMNA
SCHEMBL17046409 0.84 MAPT (0.37) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL21268317 0.82 L3MBTL1 (0.35) L3MBTL1LMNAALDH1A1GAALTA4H
SCHEMBL21268286 0.82 MAPT (0.47) L3MBTL1CYP1A1CYP1B1PDK2LMNA
SCHEMBL13481295 0.81 GPR84 (0.45) L3MBTL1CYP1A1CYP1B1PDK2FAAH
SCHEMBL1404354 0.80 LTA4H (0.42) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL21268410 0.79 MAPT (0.47) L3MBTL1LMNAALDH1A1MAPTNPSR1
SCHEMBL17046412 0.79 PDK2 (0.35) L3MBTL1CYP1A1CYP1B1PDK2LTA4H
SCHEMBL28802063 0.79 L3MBTL1 (0.32) L3MBTL1

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-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

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 L3MBTL1 1141/4885CYP1A1 55/4885CYP1B1 87/4885

“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.