SCHEMBL10195642

SCHEMBL10195642

CC1(C)OC(C)(C)C(O)=C(c2cc(Oc3nc4ccccc4s3)ccc2C2CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTA4H P09960 17/20 0.38
KCNH2 Q12809 7/20 0.38
CTSD P07339 1/20 0.37

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
SCHEMBL10195662 0.90 MAPT (0.37) CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL10195645 0.89 CASP3 (0.33) CYP2D6CYP2C19SMN1; SMN2CTSD
SCHEMBL10195650 0.89 NPC1 (0.34) LTA4HKCNH2CTSD
SCHEMBL10195655 0.87 EPHX2 (0.38) CYP2D6
SCHEMBL10195660 0.87 SMN1; SMN2 (0.37) CYP3A4SMN1; SMN2
SCHEMBL10195209 0.85 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10192940 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10195665 0.83 CTSD (0.32) SMN1; SMN2CTSD
SCHEMBL10195648 0.81 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL10195619 0.78 MAOB (0.32)

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 CYP1A2 11/4885CYP3A4 61/4885CYP2D6 17/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CYP1A2 67/4885CYP3A4 424/4885CYP2D6 88/4885

“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.