SCHEMBL80892

SCHEMBL80892

OCCCc1ccc2c(c1)CC=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
BCHE P06276 5/20 0.33
ACHE P22303 2/20 0.33
CYP4A11 Q02928 2/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
BACE1 P56817 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
CYP4F2 P78329 1/20 0.32
PPARA Q07869 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL21857988 0.86 CA2 (0.35) CA2BCHEACHECYP4A11IGF1R
SCHEMBL6909899 0.83 SKP2 (0.42) CA2ACHEKDM4EALDH1A1S1PR1
SCHEMBL81133 0.83
SCHEMBL28744237 0.81 BCHE (0.38) CA2BCHEACHECYP4A11IGF1R
SCHEMBL21857995 0.80 BCHE (0.40) CA2BCHEACHECYP4A11IGF1R
SCHEMBL6911329 0.79 CNR1 (0.40) CA2ALOX5
SCHEMBL586035 0.77 FFAR1 (0.44) CA2
SCHEMBL8662821 0.76 ALDH1A1 (0.36) ALOX15ALDH1A1
SCHEMBL21858014 0.75 KDM4E (0.42) CA2CYP4A11KDM4EALDH1A1ALOX5
SCHEMBL21694424 0.74 ESR1 (0.30) ALDH1A1

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
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN 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
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN 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 CA2 1060/4885BCHE 427/4885ACHE 347/4885

“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.