SCHEMBL1644488

SCHEMBL1644488

COC(=O)Cc1ccc(OC)c(Oc2ccc(C(F)(F)F)cc2CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.46
TBXA2R P21731 2/20 0.46
PTGDR Q13258 2/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FFAR1 O14842 1/20 0.42
FFAR2 O15552 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CETP P11597 1/20 0.42
KMT2A Q03164 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
CYP3A4 P08684 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL1644127 0.90 DRD2 (0.45) PTGDR2TBXA2RPTGDRFFAR1FFAR2
SCHEMBL1643019 0.90 LMNA (0.47) PTGDR2TBXA2RPTGDRLMNASMN1; SMN2
SCHEMBL13760999 0.89 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRLMNASMN1; SMN2
SCHEMBL149712 0.84 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL1644872 0.84 ABL1 (0.47) LMNASMN1; SMN2KDM4ETDP1KMT2A
SCHEMBL1643183 0.82 KDM4E (0.44) PTGDR2TBXA2RPTGDRLMNASMN1; SMN2
SCHEMBL13761027 0.81 ABL1 (0.42) LMNASMN1; SMN2KDM4EKMT2AABL1
SCHEMBL1643088 0.81 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRLMNASMN1; SMN2
SCHEMBL13761111 0.80 PTGDR2 (0.43) PTGDR2TBXA2RPTGDRLMNASMN1; SMN2
SCHEMBL1945418 0.79 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 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 (1 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-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER1 PTGDR2 2/4885TBXA2R 12/4885PTGDR 1/4885

“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.