SCHEMBL347144

SCHEMBL347144

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(Br)cc2CO)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DRD2 P14416 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL13760731 0.93 ABL1 (0.49) ABL1RIN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL349557 0.91 ABL1 (0.47) ABL1RIN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1643585 0.90 MEN1 (0.47) ABL1RIN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1644029 0.88 PTGDR2 (0.41) ABL1RIN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL349018 0.86 POLB (0.45) ABL1RIN1ALDH1A1SMN1; SMN2DRD2
SCHEMBL350678 0.85 ABL1 (0.45) ABL1RIN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL349485 0.85 CYP3A4 (0.55) ABL1RIN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13760729 0.84 DRD2 (0.41) ABL1RIN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1943673 0.84 KDM4E (0.53) ALDH1A1SMN1; SMN2LMNAKDM4EMEN1
SCHEMBL1643088 0.84 PTGDR2 (0.44) SMN1; SMN2LMNADRD2PTGDR2

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 17 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-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 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
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ABL1 4696/4885RIN1 4007/4885ALDH1A1 2185/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 4696/4885RIN1 4007/4885ALDH1A1 2185/4885
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER1 ABL1 3377/4885RIN1 3975/4885ALDH1A1 2220/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ABL1 4696/4885RIN1 4007/4885ALDH1A1 2185/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ABL1 4615/4885RIN1 4124/4885ALDH1A1 2155/4885

“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.