SCHEMBL80921

SCHEMBL80921

OCC#Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 4/20 0.41
EPHX2 P34913 1/20 0.41
MMP2 P08253 2/20 0.40
MMP12 P39900 1/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL16841023 0.85 ACACB (0.44) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL3874694 0.83 GABRP (0.44) ACACBMAOBAOC3HRH3MAPT
SCHEMBL28659226 0.82 ACACB (0.50) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL1065335 0.81 ACACB (0.43) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL3870841 0.80 ACACB (0.43) ACACBMAOBAOC3HRH3MAPT
SCHEMBL7839336 0.80 HRH3 (0.47) ACACBHRH3MAPTMMP2MMP12
SCHEMBL16922731 0.80 ACACB (0.42) ACACBMAOBAOC3HRH3MAPT
SCHEMBL16922733 0.80 ACACB (0.42) ACACBMAOBAOC3HRH3MAPT
SCHEMBL19599384 0.80 ACACB (0.42) ACACBMAOBAOC3MMP2TSHR
SCHEMBL19313723 0.80 ACACB (0.42) ACACBMAOBAOC3HRH3MAPT

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
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

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 ACACB 3409/4885MAOB 154/4885AOC3 2348/4885

“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.