SCHEMBL80226

SCHEMBL80226

OCC#Cc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.47
MELK Q14680 1/20 0.41
P2RY6 Q15077 1/20 0.41
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 2/20 0.36
EGFR P00533 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35

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
SCHEMBL80454 0.88 MELK (0.41) KIF11MELKP2RY6ALDH1A1EGFR
SCHEMBL81135 0.83 MELK (0.47) MELKP2RY6ALDH1A1EGFRMMP2
SCHEMBL29242747 0.77 KIF11 (0.53) KIF11KDM1A
SCHEMBL17295331 0.76 MELK (0.42) KIF11MELKP2RY6KDM1AALDH1A1
SCHEMBL1745119 0.73 KIF11 (0.44) KIF11MELKP2RY6ALDH1A1GAA
SCHEMBL1727083 0.73 KIF11 (0.73) KIF11KDM1A
SCHEMBL6209867 0.73 KIF11 (0.53) KIF11KDM1A
SCHEMBL30168580 0.73 KIF11 (0.73) KIF11KDM1A
SCHEMBL80540 0.73 EGFR (0.54) MELKALDH1A1EGFRGAAHTT
SCHEMBL1591331 0.71 FFAR1 (0.51) ALDH1A1GAAHTTCCNB2CDK1

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-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C KIF11 2343/4885MELK 783/4885P2RY6 1963/4885

“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.