SCHEMBL3108951

SCHEMBL3108951

CCOC(=O)C(CCc1ccc(OCc2ccccc2)cc1)(NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
RECQL P46063 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC1 Q13547 1/20 0.45
PTPRB P23467 2/20 0.45
LTA4H P09960 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ACP1 P24666 1/20 0.44
ALOX5 P09917 2/20 0.44

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
SCHEMBL1563297 0.94 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3123631 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5408871 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5408886 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1497875 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3108958 0.85 ALDH1A1 (0.46) ALDH1A1RECQLPTPRBPTPN2PTPN1
SCHEMBL4817662 0.82 FFAR1 (0.50) KDM4EMEN1MAPTKMT2AFFAR1
SCHEMBL13259106 0.82 S1PR1 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL7714028 0.82 FFAR1 (0.55) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL7617244 0.82 NPC1 (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431275-B1 DIARYL ETHER DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT KYORIN SEIYAKU KK (JP) 2010-04-07 EP disclosed
US-6963012-B2 Diaryl ether derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-11-08 US disclosed
US-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-12-02 US disclosed
EP-1431275-A1 DIARYL ETHER DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP 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-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant IL2, TSLP, HLA-DRB1 ALDH1A1 171/4885KDM4E 360/4885MEN1 1669/4885

“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.