SCHEMBL2043198

SCHEMBL2043198

[CH2]c1cc(OC(F)(F)F)ccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 5/20 0.46
▸ KIF11 P52732 2/20 0.40
▸ CES1 P23141 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SCN4A P35499 1/20 0.38

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
SCHEMBL16952353 0.86 CA12 (0.45) NPC1RAB9ACYP1A2CYP3A4MAPT
SCHEMBL711638 0.86 GPR3 (0.42) GPR3SCN5A
SCHEMBL2039233 0.83 GPR3 (0.46) GPR3KIF11CES1NPC1RAB9A
SCHEMBL16955235 0.82 TACR1 (0.39) GPR3KIF11CES1SLC6A3SLC6A2
SCHEMBL16951200 0.82 L3MBTL1 (0.43) NPC1LMNATP53CYP3A4HSD17B10
SCHEMBL16953615 0.82 S1PR1 (0.43) GPR3LMNAMAPTPDE2A
SCHEMBL901106 0.79 GPR3 (0.46) GPR3KIF11CES1NPC1RAB9A
SCHEMBL16961789 0.79 GPR3 (0.40) GPR3SLC6A3SLC6A2EPHX2KDM4E
SCHEMBL16952162 0.78 GPR3 (0.44) GPR3KIF11CES1NPC1RAB9A
SCHEMBL16953091 0.78 CNR2 (0.36) EPHX2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-11-15 — — US disclosed
WO-2011073444-A2 AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-06-23 — — WO 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-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests CRY1, PIR, DDT GPR3 2106/4885KIF11 3702/4885CES1 2967/4885

“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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