SCHEMBL451593

SCHEMBL451593

CC(C)(C)OC(=O)N(CCc1noc(=O)[nH]1)Cc1ccc2cc(OCCCc3ccccc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.39
PPARG P37231 4/20 0.37
PPARA Q07869 3/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MAOB P27338 2/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
HDAC1 Q13547 1/20 0.36
FAAH O00519 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL4964226 0.89 PLA2G2A (0.41) PLA2G2APPARGPPARAMAOBBCHE
SCHEMBL451234 0.79 CA12 (0.46) PPARGPPARAMTNR1AMTNR1BBCHE
SCHEMBL451594 0.78 PLA2G2A (0.37) PLA2G2APPARGPPARAMTNR1AMTNR1B
SCHEMBL452860 0.77 MTNR1A (0.44) PPARGPPARAMTNR1AMTNR1BBCHE
SCHEMBL452896 0.76 MTNR1A (0.41) PPARGPPARAMTNR1AMTNR1BBCHE
Hydrochloric Acid SCHEMBL453027 0.75 PPARG (0.46) PLA2G2APPARGMAOBBCHEACHE
SCHEMBL13783897 0.70 CYP1A2 (0.54) BCHEHDAC1CYP1A2CYP2C19CYP2D6
SCHEMBL4449671 0.69 LTB4R (0.55) BCHEHDAC1FFAR1L3MBTL1
SCHEMBL9823156 0.69 HDAC1 (0.54) HDAC1LMNAL3MBTL1
SCHEMBL30941017 0.68 MC3R (0.50) BCHEHDAC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA PLA2G2A 384/4885PPARG 2164/4885PPARA 1804/4885

“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.