SCHEMBL3108958

SCHEMBL3108958

CCOC(=O)C(CCc1ccccc1OCc1ccccc1)(NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
PTGER1 P34995 3/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
CYP2C9 P11712 1/20 0.43
PTPRB P23467 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
ACP1 P24666 1/20 0.42
SYK P43405 1/20 0.42
GAA P10253 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
ABCB1 P08183 3/20 0.40
MMP8 P22894 1/20 0.40
ATM Q13315 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
SCHEMBL1563299 0.94 PTGER1 (0.47) ALDH1A1RECQLHTR1ADRD2PTGER1
SCHEMBL3123637 0.93 PTGER1 (0.46) ALDH1A1RECQLHTR1ADRD2PTGER1
SCHEMBL3108951 0.85 ALDH1A1 (0.47) ALDH1A1RECQLPTPRBPTPN2PTPN1
SCHEMBL7708030 0.83 HTR1A (0.51) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7621207 0.83 HTR1A (0.44) ALDH1A1RECQLHTR1ADRD2PTGER1
SCHEMBL1563297 0.81 ALDH1A1 (0.46) ALDH1A1RECQLPTPRBPTPN2PTPN1
SCHEMBL7708052 0.81 HTR1A (0.49) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL3123631 0.81 ALDH1A1 (0.45) ALDH1A1RECQLPTPRBPTPN2PTPN1
SCHEMBL7621775 0.80 HTR1A (0.48) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL1024143 0.80 ALDH1A1 (0.47) ALDH1A1RECQLPTGER1PTGER4PTGER3

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 171/4885RECQL 4662/4885HTR1A 4208/4885

“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.