SCHEMBL5407205

SCHEMBL5407205

CCCCc1ccc(-c2ccc(CC[C@@](C)(N)CO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.58
S1PR3 Q99500 9/20 0.58
S1PR4 O95977 7/20 0.58
TNNC1 P63316 5/20 0.58
S1PR5 Q9H228 5/20 0.58
SGPL1 O95470 1/20 0.58
GPR183 P32249 1/20 0.58
CERS2 Q96G23 1/20 0.58
SPHK2 Q9NRA0 3/20 0.52
SPHK1 Q9NYA1 1/20 0.50
RARB P10826 1/20 0.49
S1PR2 O95136 5/20 0.48
ENPP2 Q13822 1/20 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
SCHEMBL5407214 1.00 S1PR1 (0.58) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL14593239 0.95 S1PR1 (0.65) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL7622550 0.89 S1PR1 (0.73) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL5989142 0.89 S1PR1 (0.73) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL12696488 0.89 S1PR1 (0.73) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL7615757 0.89 S1PR1 (0.73) S1PR1S1PR3S1PR4TNNC1S1PR5
Hydrochloric Acid SCHEMBL7619659 0.87 S1PR1 (0.74) S1PR1S1PR3S1PR4TNNC1S1PR5
Hydrochloric Acid SCHEMBL7619592 0.87 S1PR1 (0.74) S1PR1S1PR3S1PR4TNNC1S1PR5
Hydrochloric Acid SCHEMBL7615978 0.87 S1PR1 (0.74) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL6272203 0.82 S1PR1 (0.69) S1PR1S1PR3S1PR4TNNC1S1PR5

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-1511473-B1 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2013-04-17 EP claimed
EP-1511473-B1 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2013-04-17 EP disclosed
EP-1511473-B1 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2013-04-17 EP disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 US disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 US disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 US disclosed
EP-1511473-A2 BIS-AROMATIC ALKANOLS Novartis AG (CH) 2005-03-09 EP disclosed
US-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. IRM LLC (BM) 2004-03-11 US disclosed
WO-2003099192-A2 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2003-12-04 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-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. CD4, HLA-DRB1, MALT1 S1PR1 1541/4885S1PR3 1396/4885S1PR4 1604/4885

“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.