SCHEMBL432173

SCHEMBL432173

CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)C=CC1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PGR P06401 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30
HSD17B1 P14061 2/20 0.30

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
SCHEMBL431252 0.79 PGR (0.35) ALOX5PGREDNRBEDNRA
SCHEMBL3254644 0.77 MAPT (0.36)
SCHEMBL12131235 0.73
SCHEMBL24516477 0.71 SLC6A3 (0.40)
SCHEMBL10742430 0.71 SLC6A3 (0.40)
SCHEMBL12131645 0.70 HSD11B1 (0.32)
SCHEMBL515748 0.69 TSHR (0.37) EDNRBEDNRA
SCHEMBL452406 0.69 TAAR1 (0.36) PGREDNRBEDNRA
SCHEMBL452407 0.69 TAAR1 (0.36) PGREDNRBEDNRA
SCHEMBL452189 0.68 TDP2 (0.35) PGREDNRBEDNRA

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 9 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
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-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 ALOX5 3748/4885PGR 4626/4885EDNRB 4122/4885
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 ALOX5 2979/4885PGR 3892/4885EDNRB 3662/4885

“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.