SCHEMBL15056547

SCHEMBL15056547

CCOC(=O)Cc1ccc(OCCOC)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
KDM4E B2RXH2 3/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 3/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.42
FDPS P14324 1/20 0.41
MEN1 O00255 2/20 0.41
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
DRD2 P14416 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL18524324 0.89 GAA (0.53) ABL1RIN1KDM4EGAAALDH1A1
SCHEMBL137848 0.88 MAPT (0.52) ABL1RIN1KDM4EGAAALDH1A1
SCHEMBL18524390 0.87 ABL1 (0.44) ABL1RIN1KDM4EGAAALDH1A1
SCHEMBL4189413 0.85 FDPS (0.54) ABL1RIN1GAAALDH1A1MAPT
SCHEMBL134808 0.85 ABL1 (0.59) ABL1RIN1KDM4EGAAALDH1A1
SCHEMBL18524188 0.82 ABL1 (0.47) ABL1RIN1KDM4EGAAALDH1A1
SCHEMBL11892033 0.81 THRA (0.49) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL15055428 0.81 GAA (0.46) ABL1RIN1KDM4EGAAALDH1A1
SCHEMBL137321 0.81 ALDH1A1 (0.52) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL15056209 0.81 ABL1 (0.46) ABL1RIN1GAAALDH1A1MAPT

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
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 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 (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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 ABL1 3841/4885RIN1 735/4885KDM4E 4188/4885

“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.