SCHEMBL447914

SCHEMBL447914

COc1ccc(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NR1H3 Q13133 1/20 0.48
S1PR1 P21453 1/20 0.45
ACHE P22303 2/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
F2 P00734 1/20 0.43
ELANE P08246 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 2/20 0.41

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
SCHEMBL450630 0.94 ACHE (0.46) ALDH1A1TSHRKDM4ES1PR1ACHE
SCHEMBL449063 0.90 S1PR1 (0.44) ALDH1A1TSHRS1PR1ACHEMAOA
SCHEMBL452122 0.89 TSHR (0.50) ALDH1A1TSHRNR1H3ACHEMAOA
SCHEMBL452358 0.89 TDP1 (0.49) ALDH1A1TSHRNR1H3MAOAMAOB
SCHEMBL453701 0.89 ACHE (0.43) ALDH1A1TSHRKDM4ES1PR1ACHE
SCHEMBL448844 0.87 BCHE (0.51) BCHE
SCHEMBL450745 0.87 ACHE (0.43) ALDH1A1TSHRS1PR1ACHEMAOA
SCHEMBL453756 0.87 L3MBTL1 (0.45) S1PR1ACHEL3MBTL1BCHE
SCHEMBL451613 0.86 HTT (0.49) S1PR1MAOBBCHE
SCHEMBL448608 0.86 NR1H3 (0.50) NR1H3S1PR1ACHEL3MBTL1BCHE

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 ALDH1A1 2245/4885TSHR 743/4885KDM4E 1662/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 ALDH1A1 2082/4885TSHR 690/4885KDM4E 1605/4885

“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.