SCHEMBL449376

SCHEMBL449376

CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
HTR2C P28335 1/20 0.33
TDP2 O95551 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PGR P06401 1/20 0.31
GABBR2 O75899 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
SCHEMBL449377 1.00 TAAR1 (0.34) TAAR1ALDH1A1HTR1ADRD2HTR2A
SCHEMBL452407 0.96 TAAR1 (0.36) TAAR1ALDH1A1HTR1AHTR2AHTR2C
SCHEMBL452406 0.96 TAAR1 (0.36) TAAR1ALDH1A1HTR1AHTR2AHTR2C
SCHEMBL447609 0.86 TAAR1 (0.31) TAAR1
SCHEMBL447278 0.85 KLKB1 (0.35) TAAR1ALDH1A1HTR2AHTR2CBACE1
SCHEMBL447279 0.85 KLKB1 (0.35) TAAR1ALDH1A1HTR2AHTR2CBACE1
SCHEMBL452188 0.85 TDP2 (0.35) TAAR1ALDH1A1HTR1AHTR2AHTR2C
SCHEMBL452189 0.85 TDP2 (0.35) TAAR1ALDH1A1HTR1AHTR2AHTR2C
SCHEMBL451891 0.81 KLKB1 (0.36) TAAR1HTR2AHTR2CBACE1
SCHEMBL451890 0.81 KLKB1 (0.36) TAAR1HTR2AHTR2CBACE1

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 1046/4885ALDH1A1 14/4885HTR1A 1061/4885

“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.