SCHEMBL451138

SCHEMBL451138

OCCN(Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1)Cc1ccc(CO)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.44
HDAC1 Q13547 9/20 0.44
HDAC6 Q9UBN7 9/20 0.44
HDAC3 O15379 8/20 0.44
HDAC7 Q8WUI4 8/20 0.44
HDAC2 Q92769 8/20 0.44
HDAC10 Q969S8 8/20 0.44
HDAC11 Q96DB2 8/20 0.44
HDAC8 Q9BY41 8/20 0.44
HDAC9 Q9UKV0 8/20 0.44
HDAC5 Q9UQL6 8/20 0.44
BCHE P06276 5/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ACHE P22303 2/20 0.40
KCNA5 P22460 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL448842 0.90 HDAC3 (0.43) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL451613 0.89 HTT (0.49) BCHEKCNA5CYSLTR1S1PR1S1PR3
SCHEMBL447970 0.88 BCHE (0.52) BCHEKCNA5CYSLTR1S1PR1S1PR3
SCHEMBL451860 0.85 TSHR (0.49) BCHEPPARGPPARAKCNA5CYSLTR1
SCHEMBL451372 0.84 HTT (0.50) BCHEKCNA5CYSLTR1S1PR1S1PR3
SCHEMBL448483 0.84 LTA4H (0.53) BCHEPPARGPPARACYSLTR1S1PR1
SCHEMBL447899 0.84 BCHE (0.46) BCHEPPARGPPARAACHEKCNA5
SCHEMBL452358 0.84 TDP1 (0.49) BCHE
SCHEMBL450152 0.84 ALDH1A1 (0.39) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL449223 0.83 BCHE (0.44) BCHEPPARGPPARAKCNA5CYSLTR1

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 5 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

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 HDAC4 2533/4885HDAC1 625/4885HDAC6 3649/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 HDAC4 2649/4885HDAC1 653/4885HDAC6 3573/4885

“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.