SCHEMBL448035

SCHEMBL448035

c1ccc(CCCOc2ccc3cc(CN4CCCCC4)ccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
HRH3 Q9Y5N1 13/20 0.55
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.53
ACHE P22303 1/20 0.53
RAD52 P43351 1/20 0.53

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
SCHEMBL450886 0.96 HRH3 (0.57) LTA4HHRH3KMT2ATSHRACHE
SCHEMBL451150 0.95 HRH3 (0.60) LTA4HHRH3KMT2ATSHRACHE
SCHEMBL453604 0.95 HRH3 (0.60) LTA4HHRH3KMT2ATSHRACHE
SCHEMBL449937 0.95 HRH3 (0.60) LTA4HHRH3KMT2ATSHRACHE
SCHEMBL450172 0.94 HRH3 (0.57) LTA4HHRH3KMT2ATSHRACHE
SCHEMBL450171 0.91 HRH3 (0.54) LTA4HHRH3KMT2A
SCHEMBL5175658 0.88 HRH3 (0.68) LTA4HHRH3TSHRACHERAD52
SCHEMBL451508 0.84 CXCR4 (0.50) LTA4HHRH3KMT2A
SCHEMBL453880 0.84 CHKA (0.63) LTA4HHRH3
SCHEMBL5176728 0.84 HRH3 (0.67) LTA4HHRH3TSHRACHERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 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 (2 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA LTA4H 424/4885HRH3 107/4885KMT2A 2641/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 LTA4H 462/4885HRH3 94/4885KMT2A 2410/4885

“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.