SCHEMBL5034044

SCHEMBL5034044

COc1cccc2c(OC(C)C)c(C(=O)OC(C)C)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ICAM1 P05362 3/20 0.41
SELE P16581 3/20 0.41
VCAM1 P19320 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL5040310 0.87 EDNRA (0.45) ALDH1A1HPGDHSD17B10ICAM1SELE
SCHEMBL8443282 0.86 ICAM1 (0.56) ALDH1A1HPGDHSD17B10ICAM1SELE
SCHEMBL5038317 0.83 COMT (0.47) ALDH1A1HPGDMAPK1HSD17B10ABCG2
SCHEMBL5035372 0.75 IDO1 (0.34) ALDH1A1ICAM1SELEVCAM1KDM4E
SCHEMBL10372763 0.74 MPO (0.44) ALDH1A1ICAM1SELEVCAM1KDM4E
SCHEMBL5034022 0.73 ICAM1 (0.74) ALDH1A1HPGDMAPK1HSD17B10ABCG2
SCHEMBL17502624 0.69 CA12 (0.63) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL20562014 0.69 KDM4E (0.46) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL20561789 0.69 KDM4E (0.60) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL9568116 0.69 KDM4E (0.46) ALDH1A1HPGDMAPK1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
EP-1585745-A4 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS TRILLIUM THERAPEUTICS INC (CA) 2008-07-09 EP disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
EP-1585745-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS Arthron Limited (AU) 2005-10-19 EP disclosed
WO-2004058747-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS ARTHRON LIMITED (AU) 2004-07-15 WO 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 (2 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-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS FCGR1A, FCGR2A, FCGR3B ALDH1A1 3832/4885HPGD 2422/4885MAPK1 3146/4885
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions FCGR1A, FCGR2A, FCGR3B ALDH1A1 3832/4885HPGD 2422/4885MAPK1 3146/4885

“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.