SCHEMBL80691

SCHEMBL80691

OCC#Cc1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 3/20 0.39
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.33
NOTUM Q6P988 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL20595717 0.84 PGK1 (0.43) PGK1PTGDR2ALDH1A1TSHRHSD17B10
SCHEMBL80463 0.82 PTGDR2 (0.45) PGK1PTGDR2ALDH1A1GAAHTT
SCHEMBL6297687 0.82 PGK1 (0.48) PGK1PTGDR2ALDH1A1TSHRHSD17B10
SCHEMBL29560750 0.77 PYCR1 (0.37) PGK1PTGDR2ALDH1A1CYP3A4GAA
SCHEMBL20360102 0.77 PYCR1 (0.37) PGK1PTGDR2ALDH1A1CYP3A4GAA
SCHEMBL3351674 0.77 PTGDR2 (0.46) PGK1PTGDR2ALDH1A1TSHRCYP3A4
SCHEMBL30780880 0.77 PTGDR2 (0.46) PGK1PTGDR2ALDH1A1TSHRCYP3A4
SCHEMBL78780 0.77 ALDH1A1 (0.51) PGK1PTGDR2ALDH1A1CYP3A4GAA
SCHEMBL6297764 0.74 PGK1 (0.35) PGK1PTGDR2ALDH1A1TSHRHSD17B10
SCHEMBL718733 0.72 TP53 (0.48) PGK1PTGDR2ALDH1A1TSHRHSD17B10

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 PGK1 2228/4885PTGDR2 2516/4885ALDH1A1 646/4885

“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.