SCHEMBL416028

SCHEMBL416028

CCc1ccc(I)cc1C1C(=O)CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SRD5A1 P18405 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
SCHEMBL418249 0.81 LMNA (0.38) POLBALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL3028271 0.75 IDO1 (0.31) CA1CA2SRD5A1
SCHEMBL404243 0.73 TSHR (0.40) POLBALDH1A1MAPTCA1CA2
SCHEMBL10194953 0.68 KDM4E (0.36) POLBALDH1A1MAPT
SCHEMBL8104506 0.66 IDO1 (0.36)
SCHEMBL13019662 0.64 TTR (0.36)
SCHEMBL516049 0.63 SMN1; SMN2 (0.43) POLBALDH1A1CYP1A2SRD5A1
SCHEMBL13062514 0.63 NOS3 (0.38)
SCHEMBL419382 0.62 ALDH1A1 (0.40) POLBALDH1A1MAPT
SCHEMBL28543732 0.62 IDO1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2387569-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-11-23 EP disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 POLB 4316/4885ALDH1A1 45/4885CYP1A2 11/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 POLB 4374/4885ALDH1A1 14/4885CYP1A2 67/4885

“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.