SCHEMBL80463

SCHEMBL80463

OCC#Cc1cc(Cl)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.45
PGK1 P00558 1/20 0.36
EGFR P00533 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL80691 0.82 PGK1 (0.43) PTGDR2PGK1ALDH1A1GAAHTT
SCHEMBL20595717 0.78 PGK1 (0.43) PTGDR2PGK1ALDH1A1GAAHTT
SCHEMBL9839291 0.77 PGK1 (0.33) PGK1ALDH1A1GAAHTT
SCHEMBL20360102 0.76 PYCR1 (0.37) PTGDR2PGK1ALDH1A1GAAHTT
SCHEMBL29560750 0.76 PYCR1 (0.37) PTGDR2PGK1ALDH1A1GAAHTT
SCHEMBL29633563 0.74 MME (0.43) PTGDR2ALDH1A1
SCHEMBL2163949 0.74 MME (0.43) PTGDR2ALDH1A1
SCHEMBL10956307 0.73 RECQL (0.43) PTGDR2ALDH1A1HTTKMT2A
SCHEMBL1544963 0.73 PTGDR2 (0.36) PTGDR2EGFRALDH1A1KMT2A
SCHEMBL80847 0.72 CES2 (0.34)

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 PTGDR2 2516/4885PGK1 2228/4885EGFR 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.