SCHEMBL404503

SCHEMBL404503

Cc1[c]c(C)cc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.53
ALOX5 P09917 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 2/20 0.50
LMNA P02545 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL4674930 0.81 MEN1 (0.70) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL539028 0.80 MAOB (0.53) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL13841458 0.80 GRM5 (0.62) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL23906959 0.80 MAOB (0.79) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL1072784 0.80 GRM5 (0.62) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL2090546 0.78 ALOX5 (0.53) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL10903897 0.78 L3MBTL1 (0.55) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL31644032 0.78 MAOB (0.69) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL1143540 0.77 MAOB (0.53) MAOBALOX5MEN1KMT2ACYP1A2
SCHEMBL10477402 0.77 APP (0.53) MAOBALOX5MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2393796-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089211-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 WO disclosed
US-6576791-B1 Local anesthetic compounds and uses THERAVANCE, INC. 2003-06-10 US disclosed
US-6495681-B1 PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE THERAVANCE INC. 2002-12-17 US 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-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAOB 2064/4885ALOX5 3748/4885MEN1 4280/4885

“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.