SCHEMBL351622

SCHEMBL351622

Cc1[c]c2c(cc1)OC(F)(F)O2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.31

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
SCHEMBL351335 0.82 NOTUM (0.32) NOTUM
SCHEMBL350736 0.76 NOTUM (0.31) NOTUM
SCHEMBL349761 0.76
SCHEMBL12038 0.65 GPR3 (0.33)
SCHEMBL14819 0.64 CTNNB1 (0.41) NOTUM
SCHEMBL349707 0.63
SCHEMBL8570298 0.63 ABCG2 (0.37)
SCHEMBL8239476 0.61 TSHR (0.39) NOTUM
SCHEMBL350611 0.61 GPR3 (0.33) NOTUM
SCHEMBL14007746 0.61 ADORA2A (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015981-A1 Active compound combinations BAYER CORPSCIENCE AG (DE) 2012-01-19 US disclosed
EP-2391213-A1 ACTIVE COMPOUND COMBINATIONS Bayer CropScience AG (DE) 2011-12-07 EP disclosed
EP-2391214-A1 ACTIVE COMPOUND COMBINATIONS Bayer CropScience AG (DE) 2011-12-07 EP disclosed
US-20110294855-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
WO-2010086120-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2010-08-05 WO disclosed
WO-2010086109-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2010-08-05 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-20110294855-A1 Active Compound Combinations PFAS, AFF1, AFF2 NOTUM 45/4885
US-20120015981-A1 Active compound combinations PFAS, CBR3, AADAC NOTUM 23/4885

“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.