SCHEMBL4120589

SCHEMBL4120589

CCc1c(C(C)O)nn(C)c1Oc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK14 Q16539 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LTA4H P09960 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.32
MGLL Q99685 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4108323 0.86 KDM4E (0.36) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL13466282 0.81 PDE2A (0.33) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL12373448 0.76 ALDH1A1 (0.39) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL2276349 0.74 SMN1; SMN2 (0.46) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL2279331 0.74 ALDH1A1 (0.45) KDM4EMAPTKMT2AALDH1A1MAPK14
SCHEMBL12806867 0.71 ALDH1A1 (0.46) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL1705573 0.71 KMT2A (0.37) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL4114744 0.71 ALDH1A1 (0.43) KDM4EMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL13242970 0.70 ALDH1A1 (0.45) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL30995709 0.68 ALDH1A1 (0.57) KDM4EL3MBTL1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 KDM4E 2845/4885L3MBTL1 2920/4885MAPT 3475/4885

“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.