SCHEMBL4123693

SCHEMBL4123693

CCOC(=O)c1ccc2c(cnn2C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.51
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PTGER4 P35408 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 6/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL16595907 0.87 EZH2 (0.49) EZH2ALDH1A1HPGDNPC1MAPT
SCHEMBL15660763 0.85 EZH2 (0.50) EZH2ALDH1A1HPGDRAB9AMEN1
SCHEMBL15657915 0.85 EZH2 (0.51) EZH2CA12CA1CA2CA7
SCHEMBL8682160 0.85 HSD17B10 (0.40) EZH2CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL8683788 0.85 ALDH1A1 (0.40) EZH2CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL8683796 0.85 ALDH1A1 (0.40) EZH2CA12CA1CA2CA7
SCHEMBL3436319 0.82 CCNC (0.49) CA12CA1CA2CA7CA9
SCHEMBL904672 0.81 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL4133044 0.80 HCAR3 (0.56) EZH2HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL16937262 0.80 EGFR (0.40) EZH2PTGER4ALDH1A1HPGDRAB9A

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-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
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 EZH2 4414/4885CA12 4392/4885CA1 4516/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 EZH2 4414/4885CA12 4392/4885CA1 4516/4885

“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.