SCHEMBL10195324

SCHEMBL10195324

CCc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PDE4B Q07343 3/20 0.33
SCN7A Q01118 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP11B2 P19099 1/20 0.31
MCHR1 Q99705 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE7A Q13946 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL10195400 0.89 CYP1A2 (0.37) SCN9ASCN10ACYP11B2
SCHEMBL10195457 0.86 ALDH1A1 (0.36) SCN9APDE4BSCN7AKCNH2PDE1A
SCHEMBL10195119 0.85 MMP1 (0.36) PDE4BKCNH2CYP11B2
SCHEMBL10195516 0.84 LTA4H (0.34) CYP11B2LTA4H
SCHEMBL10195322 0.83 HTR2A (0.38) KCNH2
SCHEMBL10196170 0.82 PDE4B (0.34) SCN9APDE4BSCN7AKCNH2PDE1A
SCHEMBL10195521 0.82 LTA4H (0.34) CYP11B2LTA4H
SCHEMBL10195520 0.82 HTT (0.38) SCN9ASCN10A
SCHEMBL10195168 0.81 SLC6A4 (0.38) SCN9ASCN10AKCNH2CYP11B2
SCHEMBL16180992 0.81 MEN1 (0.34) SCN9ASCN10A

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-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US 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-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
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US 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 SCN9A 1880/4885SCN10A 2451/4885PDE4B 965/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SCN9A 2224/4885SCN10A 1828/4885PDE4B 1225/4885

“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.