SCHEMBL4124767

SCHEMBL4124767

CCOC(=O)COc1cc(C(=O)OC)on1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4132324 0.86 HCAR2 (0.47) SMPD1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7896956 0.85 SMPD1 (0.50) SMPD1ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL4758485 0.82 SMPD1 (0.45) SMPD1KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL32691257 0.82 L3MBTL1 (0.41) SMPD1KDM4EALDH1A1GAAHSD17B10
SCHEMBL5888236 0.80 SMPD1 (0.58) SMPD1ALDH1A1POLB
SCHEMBL12334447 0.78 SMPD1 (0.64) SMPD1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL7311748 0.78 SMPD1 (0.46) SMPD1KDM4EALDH1A1NPSR1
SCHEMBL13754957 0.77 SMPD1 (0.43) SMPD1ALDH1A1CA12CA9L3MBTL1
SCHEMBL4115981 0.77 SMPD1 (0.44) SMPD1SMN1; SMN2GAAPOLB
SCHEMBL25171017 0.77 SMPD1 (0.55) SMPD1ALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMPD1 1524/4885KDM4E 4797/4885ALDH1A1 1599/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMPD1 1524/4885KDM4E 4797/4885ALDH1A1 1599/4885

“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.