SCHEMBL10195650

SCHEMBL10195650

CC1(C)OC(C)(C)C(O)=C(c2cc(Oc3nc4cc(Cl)ccc4s3)ccc2C2CC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CTSD P07339 1/20 0.33
F10 P00742 1/20 0.32
HCRTR1 O43613 1/20 0.31
PPARA Q07869 1/20 0.31
CNR2 P34972 1/20 0.31
LTA4H P09960 3/20 0.30
KCNH2 Q12809 1/20 0.30
AGPAT2 O15120 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
SCHEMBL10195645 0.93 CASP3 (0.33) NPC1RAB9ACTSDF10HCRTR1
SCHEMBL10195642 0.89 CYP1A2 (0.40) CTSDLTA4HKCNH2
SCHEMBL10195665 0.86 CTSD (0.32) RAB9ACTSD
SCHEMBL10195662 0.86 MAPT (0.37) NPC1RAB9A
SCHEMBL10195386 0.85 CTSD (0.34) CTSDPPARALTA4HAGPAT2
SCHEMBL10195655 0.83 EPHX2 (0.38) PPARA
SCHEMBL10195660 0.83 SMN1; SMN2 (0.37) NPC1RAB9A
SCHEMBL10195606 0.83 MAOB (0.37)
SCHEMBL10195481 0.82 CYP1A2 (0.38)
SCHEMBL10195528 0.81 PDE4B (0.33) KCNH2

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 8 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-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 NPC1 4365/4885RAB9A 2665/4885CTSD 2755/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NPC1 4585/4885RAB9A 3044/4885CTSD 3465/4885

“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.