SCHEMBL81135

SCHEMBL81135

OCC#Cc1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.47
GRM5 P41594 1/20 0.44
EGFR P00533 2/20 0.43
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TRPV3 Q8NET8 1/20 0.38
FFAR1 O14842 4/20 0.37
FFAR4 Q5NUL3 2/20 0.37
P2RY6 Q15077 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 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
SCHEMBL80540 0.84 EGFR (0.54) MELKEGFRMMP2MMP12ALDH1A1
SCHEMBL17295331 0.84 MELK (0.42) MELKGRM5EGFRMMP2MMP12
SCHEMBL80226 0.83 KIF11 (0.47) MELKEGFRMMP2MMP12ALDH1A1
SCHEMBL80454 0.81 MELK (0.41) MELKEGFRMMP2MMP12ALDH1A1
SCHEMBL18557460 0.81 CYP2C19 (0.48) MELKGRM5EGFRTRPV3FFAR1
SCHEMBL14819075 0.81 GRM5 (0.43) GRM5TRPV3FFAR1FFAR4GABRP
SCHEMBL6446069 0.78 MMP2 (0.55) MELKMMP2MMP12ALDH1A1FFAR1
SCHEMBL1023757 0.78 GRM5 (0.41) GRM5EGFRTRPV3HRH3GABRP
SCHEMBL9273393 0.77 MELK (0.65) MELKGRM5EGFRMMP2MMP12
SCHEMBL103643 0.77 MMP2 (0.47) MELKGRM5MMP2MMP12ALDH1A1

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 MELK 783/4885GRM5 1319/4885EGFR 3860/4885

“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.