SCHEMBL3581529

SCHEMBL3581529

C[C@H](O)COc1c[c]ccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
CYP2D6 P10635 3/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 1/20 0.39
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
HIF1A Q16665 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 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
SCHEMBL6296437 0.86 LMNA (0.44) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL6293316 0.86 LMNA (0.44) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL6297192 0.86 LMNA (0.44) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL6297201 0.86 LMNA (0.44) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL161036 0.85 LMNA (0.41) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL17134101 0.82 LMNA (0.39) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL7666640 0.82 LMNA (0.39) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL7671936 0.81 TSHR (0.43) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL920817 0.81 FFAR1 (0.42) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL6296423 0.81 TSHR (0.53) LMNACYP2D6ADRB2ADRB1ADRB3

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-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US claimed
EP-2106214-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-10-07 EP claimed
WO-2008074418-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2008-06-26 WO claimed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
EP-2106214-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-10-07 EP disclosed
WO-2008074418-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2008-06-26 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-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 LMNA 2871/4885CYP2D6 281/4885ADRB2 3369/4885

“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.