SCHEMBL6986680

SCHEMBL6986680

CCCOc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
ELOVL1 Q9BW60 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GCK P35557 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
SCHEMBL6985888 0.92 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6988320 0.87 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6986637 0.85 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6987711 0.83 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7091836 0.82 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6986636 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13771071 0.81 ACACB (0.34) ELOVL1ACACBACACAGCK
SCHEMBL6981649 0.80 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6986657 0.78 NPC1 (0.36) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23178746 0.77 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670307-B2 Such as 2-(2,6-difluorophenyl)-4-(4-(2-ethoxypyridin-5-yl) phenyl)oxazoline; for administration to livestock HOECHST SCHERING AGREVO GMBH (DE) 2003-12-30 US disclosed
EP-1087967-B1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-10-22 EP disclosed
US-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides BAYER CROPSCIENCE AG (DE) 2002-06-06 US disclosed
US-6265350-B1 CONTROLLING HARMFUL FUNGI, INSECTS, ACARINA, MOLLUSKS AND NEMATODES HOECHST SCHERING AGREVO GMBH (DE) 2001-07-24 US disclosed
EP-1087967-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-04-04 EP disclosed
WO-1999065901-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-12-23 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-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides MT-CO1, OXA1L, MT-CO3 ALDH1A1 127/4885NPC1 3642/4885RAB9A 4145/4885

“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.