SCHEMBL4612486

SCHEMBL4612486

COCC(C(=O)Cl)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.34
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TPMT P51580 1/20 0.32
ADAMTS4 O75173 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
MAP4K4 O95819 1/20 0.32
PRKACA P17612 1/20 0.32

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
SCHEMBL27406402 0.87 ALDH1A1 (0.39) ALDH1A1HPGDL3MBTL1LMNAGRN
SCHEMBL4614625 0.84 L3MBTL1 (0.42) ALDH1A1HPGDL3MBTL1LMNAGRN
Hydrochloric Acid SCHEMBL4612487 0.84 ALDH1A1 (0.40) ALDH1A1HPGDL3MBTL1GRNSORT1
SCHEMBL819824 0.76 GLS (0.46) ALDH1A1HPGDLMNAMEN1MAPT
SCHEMBL16759671 0.73 PYGL (0.39) ALDH1A1HPGDL3MBTL1LMNAMAPT
SCHEMBL16759074 0.71 SLC6A2 (0.36) ALDH1A1HPGDMAPTSLC6A2SLC6A4
SCHEMBL16770966 0.71 SLC6A2 (0.36) ALDH1A1HPGDLMNAGRNSORT1
SCHEMBL17071865 0.71 SLC6A2 (0.36) ALDH1A1HPGDLMNAGRNSORT1
SCHEMBL16770758 0.71 SLC6A2 (0.36) ALDH1A1HPGDLMNAGRNSORT1
SCHEMBL27406403 0.69 ALDH1A1 (0.33) ALDH1A1HPGDL3MBTL1GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567480-B1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2008-03-12 EP disclosed
US-7271130-B2 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2007-09-18 US disclosed
US-20060194763-A1 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-08-31 US disclosed
EP-1567480-A1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004048316-A1 N-ALKYNYL-2- (SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 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 (1 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-20060194763-A1 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides CYP4X1, PRXL2A, CYP1A2 ALDH1A1 1112/4885HPGD 4709/4885L3MBTL1 500/4885

“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.