SCHEMBL1987447

SCHEMBL1987447

C[C](C)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 3/20 0.61
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
KDR P35968 1/20 0.47
IDO1 P14902 2/20 0.43
LMNA P02545 2/20 0.43
NOTUM Q6P988 6/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
PDK1 Q15118 1/20 0.42
HSD11B1 P28845 1/20 0.42
NPFFR1 Q9GZQ6 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL76697 0.85 NPFFR2 (0.58) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL25787675 0.85 NPFFR2 (0.58) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL30440617 0.85 NPFFR2 (0.58) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL22314254 0.83 NPFFR2 (0.56) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL16957216 0.82 NPFFR2 (0.55) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL16959831 0.80 NPFFR2 (0.54) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL10656533 0.80 KDR (0.56) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL31542016 0.78 KDR (0.54) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1794695 0.78 KDR (0.54) NPFFR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL375961 0.78 TSHR (0.59) NPFFR2HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS NPFFR2 2344/4885HTR3E 1979/4885HTR3B 2589/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS NPFFR2 1191/4885HTR3E 1307/4885HTR3B 2000/4885

“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.