SCHEMBL6835126

SCHEMBL6835126

C#CCO/N=C(/C(C)=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
HPGD P15428 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL6839890 0.83 L3MBTL1 (0.40) L3MBTL1LMNAMAPK1HTTNPC1
SCHEMBL15580126 0.78 NPC1 (0.49) L3MBTL1LMNAMAPK1HTTNPC1
SCHEMBL7805644 0.74 CES1 (0.48) L3MBTL1LMNAMAPK1HTTNPC1
SCHEMBL7651351 0.74 CES1 (0.48) L3MBTL1LMNAMAPK1HTTNPC1
SCHEMBL92110 0.71 SMN1; SMN2 (0.57) LMNAMAPK1NPC1SMN1; SMN2ALDH1A1
SCHEMBL8858583 0.71 NPC1 (0.42) L3MBTL1LMNAMAPK1NPC1MAOB
SCHEMBL8858581 0.71 NPC1 (0.42) L3MBTL1LMNAMAPK1NPC1MAOB
SCHEMBL13424332 0.70 HPGD (0.41) L3MBTL1LMNAMAPK1HTTNPC1
SCHEMBL26325460 0.69 CES2 (0.42) L3MBTL1LMNAMAPK1HTTCES2
SCHEMBL6025403 0.69 SMN1; SMN2 (0.48) LMNANPC1CES2CES1HPGD

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
US-20040039220-A1 Process for the preparation of pesticides FAROOQ SALEEM (CH) 2004-02-26 US disclosed
US-6646151-B1 Efficient oximation BAYER AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
EP-0876333-B1 PROCESS FOR THE PREPARATION OF PESTICIDES BAYER AG (DE) 2002-03-27 EP disclosed
US-6156923-A Process for the preparation of pesticides NOVARTIS CORPORATION (US) 2000-12-05 US disclosed
EP-0876333-A1 PROCESS FOR THE PREPARATION OF PESTICIDES Novartis AG (CH) 1998-11-11 EP disclosed
WO-1997020808-A1 PROCESS FOR THE PREPARATION OF PESTICIDES NOVARTIS AG (CH) 1997-06-12 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-20040039220-A1 Process for the preparation of pesticides CHRM1, CHRM2, F7 L3MBTL1 4034/4885LMNA 429/4885MAPK1 1374/4885

“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.