SCHEMBL452406

SCHEMBL452406

CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)[C@@H]2C3CCC(CC3)[C@@H]2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
TDP2 O95551 1/20 0.35
BACE1 P56817 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PGR P06401 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
MET P08581 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MST1R Q04912 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
CAMK1D Q8IU85 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
SCHEMBL452407 1.00 TAAR1 (0.36) TAAR1TDP2BACE1HDAC1HDAC2
SCHEMBL449377 0.96 TAAR1 (0.34) TAAR1TDP2BACE1HDAC1HDAC2
SCHEMBL449376 0.96 TAAR1 (0.34) TAAR1TDP2BACE1HDAC1HDAC2
SCHEMBL447609 0.89 TAAR1 (0.31) TAAR1
SCHEMBL452188 0.88 TDP2 (0.35) TAAR1TDP2BACE1HDAC1HDAC2
SCHEMBL452189 0.88 TDP2 (0.35) TAAR1TDP2BACE1HDAC1HDAC2
SCHEMBL447253 0.84 SMN1; SMN2 (0.39) TAAR1TDP2HDAC1HDAC2EDNRB
SCHEMBL451891 0.84 KLKB1 (0.36) TAAR1BACE1HTR2CHTR2AHTR2B
SCHEMBL451890 0.84 KLKB1 (0.36) TAAR1BACE1HTR2CHTR2AHTR2B
SCHEMBL447027 0.83 MAPT (0.31) MAPT

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-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TAAR1 1046/4885TDP2 1837/4885BACE1 1901/4885

“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.