SCHEMBL431252

SCHEMBL431252

CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.35
GRM2 Q14416 1/20 0.35
BACE1 P56817 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX5 P09917 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
AOC3 Q16853 2/20 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

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
SCHEMBL3034996 0.81 PGR (0.40) PGRGRM2BACE1NPC1RAB9A
SCHEMBL452407 0.80 TAAR1 (0.36) PGRGRM2BACE1SMN1; SMN2ALDH1A1
SCHEMBL452406 0.80 TAAR1 (0.36) PGRGRM2BACE1SMN1; SMN2ALDH1A1
SCHEMBL432173 0.79 ALOX5 (0.33) PGRALOX5EDNRBEDNRA
SCHEMBL1317191 0.77 HTR2C (0.33) PGRGRM2BACE1SMN1; SMN2ALDH1A1
SCHEMBL449376 0.76 TAAR1 (0.34) PGRBACE1SMN1; SMN2ALDH1A1TAAR1
SCHEMBL452189 0.76 TDP2 (0.35) PGRGRM2BACE1SMN1; SMN2ALDH1A1
SCHEMBL452188 0.76 TDP2 (0.35) PGRGRM2BACE1SMN1; SMN2ALDH1A1
SCHEMBL449377 0.76 TAAR1 (0.34) PGRBACE1SMN1; SMN2ALDH1A1TAAR1
SCHEMBL13366546 0.75 GRM2 (0.34) PGRGRM2ALDH1A1TAAR1KDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
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
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010081894-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed
WO-2010057880-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-05-27 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 (2 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 PGR 4626/4885GRM2 23/4885BACE1 1901/4885
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 PGR 3892/4885GRM2 260/4885BACE1 1646/4885

“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.