SCHEMBL452358

SCHEMBL452358

COc1ccc(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 4/20 0.48
MAOA P21397 3/20 0.48
NR1H3 Q13133 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
BCHE P06276 3/20 0.46
SLC2A1 P11166 1/20 0.46
MEP1B Q16820 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL451613 0.94 HTT (0.49) MAOBBCHEHTT
SCHEMBL452122 0.94 TSHR (0.50) MAOBMAOANR1H3TSHRALDH1A1
SCHEMBL447970 0.91 BCHE (0.52) MAOBTSHRBCHEHTT
SCHEMBL451774 0.91 BCHE (0.54) TSHRALDH1A1BCHE
SCHEMBL449317 0.91 BCHE (0.54) TSHRALDH1A1BCHE
SCHEMBL451860 0.90 TSHR (0.49) MAOBTSHRBCHEHTT
SCHEMBL449063 0.90 S1PR1 (0.44) TDP1L3MBTL1MAOBMAOATSHR
SCHEMBL450630 0.90 ACHE (0.46) L3MBTL1MAOBMAOATSHRALDH1A1
SCHEMBL452242 0.90 APP (0.48) MAOBMAOABCHEHTT
SCHEMBL448483 0.89 LTA4H (0.53) L3MBTL1BCHEHTT

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 TDP1 1376/4885L3MBTL1 1953/4885MAOB 2098/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 TDP1 1549/4885L3MBTL1 2190/4885MAOB 2137/4885

“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.