SCHEMBL4132557

SCHEMBL4132557

COc1c(Cl)cc(O)cc1C(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.39
TPMT P51580 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 2/20 0.37
DYRK1A Q13627 1/20 0.37
GRM4 Q14833 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4125864 0.93 TPMT (0.41) TAS1R3TAS1R1TAS1R2TSHRLMNA
SCHEMBL4122359 0.80 CNR2 (0.44) TSHRCNR1CNR2POLBALDH1A1
SCHEMBL9820695 0.77 CNR1 (0.43) TSHRCNR1CNR2PDE4BPDE4D
SCHEMBL14435149 0.77 CNR2 (0.40) TSHRLMNACNR1CNR2DRD2
SCHEMBL13696937 0.76 PDE4B (0.36) TAS1R3TAS1R1TAS1R2TSHRLMNA
SCHEMBL4119971 0.75 ALDH1A1 (0.49) TAS1R3TAS1R1TAS1R2LMNATPMT
SCHEMBL27712792 0.74 CNR1 (0.40) TAS1R3TAS1R1TAS1R2TSHRCNR1
SCHEMBL14477305 0.74 KDM2B (0.50) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL9820552 0.74 CNR1 (0.44) TAS1R3TAS1R1TAS1R2LMNACNR1
SCHEMBL24516637 0.73 GALK1 (0.50) LMNAPOLBTPMTKDM4EALDH1A1

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
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 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-20090221596-A1 Substtituted aryl oximes CYP1A1, PRDX1, CYP1A2 TAS1R3 2162/4885TAS1R1 1470/4885TAS1R2 1753/4885

“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.