SCHEMBL2354458

SCHEMBL2354458

O=CC1CC(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.41
ADORA3 P0DMS8 2/20 0.39
AR P10275 2/20 0.39
HSD11B1 P28845 1/20 0.39
AKR1C3 P42330 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
CYP19A1 P11511 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAOB P27338 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2C P28335 3/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.33
GLS O94925 1/20 0.33
AXL P30530 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
ACHE P22303 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
SCHEMBL2955165 0.74 AR (0.36) S100A4ADORA3ARHSD11B1AKR1C3
SCHEMBL30991817 0.74 AR (0.36) S100A4ADORA3ARHSD11B1AKR1C3
SCHEMBL12405330 0.74 S100A4 (0.47) S100A4ADORA3ARHSD11B1AKR1C3
SCHEMBL8364609 0.73 POLB (0.35) EDNRBEDNRACYP19A1ALDH1A1MAPT
SCHEMBL30737888 0.72 AR (0.46) S100A4ADORA3ARHSD11B1AKR1C3
SCHEMBL19302757 0.72 AR (0.46) S100A4ADORA3ARHSD11B1AKR1C3
SCHEMBL11869980 0.72 AR (0.46) S100A4ADORA3ARHSD11B1AKR1C3
SCHEMBL2929675 0.72 AR (0.46) S100A4ADORA3ARHSD11B1AKR1C3
SCHEMBL5536280 0.72 S100A4 (0.45) S100A4ADORA3ARHSD11B1AKR1C3
SCHEMBL12719040 0.72 KDM1A (0.44)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2012-05-10 US disclosed
EP-2356141-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS Novo Nordisk A/S (DK) 2011-08-17 EP disclosed
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 EP disclosed
WO-2010055135-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2010-05-20 WO disclosed
US-6699909-B1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS PRESCIENT NEUROPHARMA INC. (CA) 2004-03-02 US 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-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS GHRHR, GHITM, GHSR S100A4 1647/4885ADORA3 4066/4885AR 1460/4885

“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.