SCHEMBL412386

SCHEMBL412386

CC1(C)OC(C)(C)C(=O)C(c2cc(Br)ccc2C2CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SRD5A1 P18405 1/20 0.35
SLC6A4 P31645 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
HSD11B1 P28845 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 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
SCHEMBL15821710 0.80 MAPK1 (0.37) ALDH1A1POLBTSHRLMNAMAPK1
SCHEMBL3024626 0.80 LMNA (0.40) ALDH1A1POLBTSHRLMNAMAPK1
SCHEMBL14983793 0.79 SIGMAR1 (0.38) MEN1KMT2APDK2PDK4SIGMAR1
SCHEMBL867734 0.79 LMNA (0.39) ALDH1A1POLBTSHRLMNAMAPK1
SCHEMBL3035400 0.79 LMNA (0.39) ALDH1A1POLBTSHRLMNAMAPK1
SCHEMBL868610 0.79 LMNA (0.39) ALDH1A1POLBTSHRLMNAMAPK1
SCHEMBL3026367 0.78 PGR (0.39) ALDH1A1SIGMAR1BRD4
SCHEMBL402954 0.78 TSHR (0.40) ALDH1A1POLBTSHRLMNAMAPK1
SCHEMBL410941 0.78 LMNA (0.38) ALDH1A1POLBTSHRLMNAMAPK1
SCHEMBL14983792 0.75 DGAT1 (0.36) TSHRMAPK1PDK2PDK4SIGMAR1

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 45/4885POLB 4316/4885TSHR 1474/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885POLB 4374/4885TSHR 1306/4885

“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.