SCHEMBL452188

SCHEMBL452188

CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
BACE1 P56817 1/20 0.32
PGR P06401 1/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MST1R Q04912 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
CAMK1D Q8IU85 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
SCHEMBL452189 1.00 TDP2 (0.35) TDP2TAAR1HDAC1HDAC2BACE1
SCHEMBL452406 0.88 TAAR1 (0.36) TDP2TAAR1HDAC1HDAC2BACE1
SCHEMBL452407 0.88 TAAR1 (0.36) TDP2TAAR1HDAC1HDAC2BACE1
SCHEMBL449377 0.85 TAAR1 (0.34) TDP2TAAR1HDAC1HDAC2BACE1
SCHEMBL449376 0.85 TAAR1 (0.34) TDP2TAAR1HDAC1HDAC2BACE1
SCHEMBL447253 0.83 SMN1; SMN2 (0.39) TDP2TAAR1HDAC1HDAC2EDNRB
SCHEMBL447788 0.79 HTR2A (0.33) HTR2A
SCHEMBL447787 0.79 HTR2A (0.33) HTR2A
SCHEMBL447609 0.79 TAAR1 (0.31) TAAR1
SCHEMBL447513 0.79 L3MBTL1 (0.40) ALDH1A1LMNATP53ADRA2AKMT2A

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 TDP2 1837/4885TAAR1 1046/4885HDAC1 1406/4885

“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.