SCHEMBL350066

SCHEMBL350066

COC(=O)Cc1cc(O)cc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.76
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ANO1 Q5XXA6 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
SLC7A5 Q01650 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL1873789 0.89 HSP90AB1 (0.62) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL8151711 0.87 HSP90AB1 (0.92) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL478058 0.87 HSP90AB1 (1.00) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL137425 0.83 HSP90AB1 (0.51) HSP90AB1ALDH1A1GAAMAPTMEN1
SCHEMBL31249653 0.81 HSP90AB1 (0.53) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL1868343 0.81 HSP90AB1 (0.53) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL138004 0.81 HSP90AB1 (0.53) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL13745785 0.81 HSP90AB1 (0.53) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL1524738 0.81 HSP90AB1 (0.53) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL2973152 0.80 HSP90AB1 (0.79) HSP90AB1ALDH1A1GAAGFERCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
EP-2307362-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
WO-2010003120-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
CN-101374804-A Substituted diphenylethers, -amines, -sulfides and -methanes for the treatment of respiratory disease ASTRAZENECA AB (SE) 2009-02-25 CN 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 (4 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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2231/4885ALDH1A1 2185/4885GAA 3993/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2231/4885ALDH1A1 2185/4885GAA 3993/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 HSP90AB1 2231/4885ALDH1A1 2185/4885GAA 3993/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 HSP90AB1 2216/4885ALDH1A1 2155/4885GAA 3473/4885

“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.