SCHEMBL10195664

SCHEMBL10195664

CC1(C)OC(C)(C)C(O)=C(c2cc(Oc3ccc(C(F)(F)F)cc3N=O)ccc2C2CC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
FFAR1 O14842 1/20 0.32
SCN9A Q15858 1/20 0.30
TRPC6 Q9Y210 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
SCHEMBL16181161 0.90 MRGPRX4 (0.35) MRGPRX4PTGDR2FFAR1
SCHEMBL10195632 0.88 FFAR1 (0.44) MRGPRX4PTGDR2FFAR1
SCHEMBL13286311 0.86 KDM4E (0.36) MRGPRX4PTGDR2FFAR1
SCHEMBL16351647 0.85 KDM4E (0.44)
SCHEMBL16351672 0.82 FFAR1 (0.38) PTGDR2FFAR1
SCHEMBL16351691 0.79 ALDH1A1 (0.38)
SCHEMBL10195622 0.79 MMP9 (0.33)
SCHEMBL10195655 0.79 EPHX2 (0.38)
SCHEMBL16351677 0.78
SCHEMBL10195656 0.78 RAB9A (0.37) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MRGPRX4 1260/4885PTGDR2 2974/4885FFAR1 752/4885

“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.