SCHEMBL3036489

SCHEMBL3036489

CCCCCCOc1ccc(CNCC(C)(C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.57
S1PR3 Q99500 4/20 0.57
S1PR2 O95136 2/20 0.57
LPAR2 Q9HBW0 2/20 0.57
NR5A1 Q13285 1/20 0.51
S1PR4 O95977 2/20 0.47
S1PR5 Q9H228 1/20 0.47
FAAH O00519 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
PLA2G4B P0C869 2/20 0.46

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
SCHEMBL25807952 0.82 S1PR2 (0.62) S1PR1S1PR3S1PR2LPAR2NR5A1
SCHEMBL9573481 0.81 CNR2 (0.51) S1PR1S1PR3S1PR2LPAR2NR5A1
SCHEMBL9027655 0.80 NR5A1 (0.59) S1PR1S1PR3NR5A1S1PR4S1PR5
SCHEMBL3042226 0.77 S1PR2 (0.57) S1PR1S1PR3S1PR2LPAR2NR5A1
SCHEMBL3042232 0.77 S1PR2 (0.57) S1PR1S1PR3S1PR2LPAR2NR5A1
SCHEMBL13220995 0.77 S1PR2 (0.57) S1PR1S1PR3S1PR2LPAR2NR5A1
SCHEMBL26499206 0.77 S1PR2 (0.61) S1PR1S1PR3S1PR2LPAR2NR5A1
SCHEMBL1857171 0.77 S1PR2 (0.54) S1PR1S1PR3S1PR2LPAR2NR5A1
SCHEMBL23160258 0.77 LMNA (0.61)
SCHEMBL13407787 0.77 S1PR2 (0.63) S1PR1S1PR3S1PR2LPAR2NR5A1

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-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO claimed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 S1PR1 3/4885S1PR3 5/4885S1PR2 6/4885

“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.