SCHEMBL3121966

SCHEMBL3121966

ICCCCc1ccccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.67
DRD2 P14416 4/20 0.67
MGLL Q99685 1/20 0.61
PTGER1 P34995 1/20 0.57
PTGER4 P35408 1/20 0.57
PTGER3 P43115 1/20 0.57
PTGER2 P43116 1/20 0.57
ABCB1 P08183 9/20 0.56
GAA P10253 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL7526430 0.95 HTR1A (0.69) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL17197391 0.91 HTR1A (0.79) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL7616541 0.88 HTR1A (0.73) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL9579667 0.86 MGLL (0.51) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL9863355 0.86 MGLL (0.51) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL9057460 0.84 HTR1A (0.79) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL10683333 0.83 HTR1A (0.67) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL27428981 0.83 HTR1A (0.67) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL9277698 0.83 HTR1A (0.71) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL10956404 0.82 HTR1A (0.65) HTR1ADRD2MGLLPTGER1PTGER4

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 HTR1A 4208/4885DRD2 614/4885MGLL 1745/4885

“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.