SCHEMBL419382

SCHEMBL419382

CCc1ccc(Br)cc1C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 3/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP2 O95551 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL404243 0.84 TSHR (0.40) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL418249 0.81 LMNA (0.38) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL417562 0.81 BACE1 (0.33) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL993617 0.77 LMNA (0.34) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL3025240 0.77 LMNA (0.42) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL3034626 0.76 TP53 (0.36) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL3036820 0.76 TSHR (0.37) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL410941 0.76 LMNA (0.38) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL406454 0.76 TSHR (0.41) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL3027915 0.75 TSHR (0.38) ALDH1A1MAPTLMNASMN1; SMN2TSHR

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 ALDH1A1 45/4885MAPT 3785/4885GAA 247/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MAPT 3903/4885GAA 478/4885

“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.