SCHEMBL451594

SCHEMBL451594

CC(C)(C)C(c1ccc2cc(OCCCc3ccccc3)ccc2c1)N(CCc1noc(=O)[nH]1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G5 P39877 1/20 0.37
MAOB P27338 3/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 2/20 0.35
MAOA P21397 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC16A3 O15427 1/20 0.34
PLA2G4A P47712 1/20 0.34
KCNA5 P22460 1/20 0.34

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 0.80 PLA2G2A (0.41) PLA2G2AMAOBPPARGPPARAMAOA
SCHEMBL451593 0.78 PLA2G2A (0.39) PLA2G2AMAOBPPARGPPARAMAOA
SCHEMBL452897 0.76 MTNR1A (0.38) PPARGPPARAMTNR1AMTNR1BKDM4E
Hydrochloric Acid SCHEMBL453027 0.70 PPARG (0.46) PLA2G2AMAOBPPARGMAOA
SCHEMBL16467928 0.59 KMT2A (0.46) MAOBALDH1A1
SCHEMBL5176731 0.59 MAOB (0.52) MAOBPPARGMAOAMTNR1AMTNR1B
SCHEMBL5175470 0.58 CA12 (0.51) MAOBMAOAMTNR1AMTNR1BCYSLTR1
SCHEMBL4965618 0.58 FFAR1 (0.55) MAOBPPARGMAOAMTNR1AMTNR1B
7-(3-Phenylpropoxy)Coumarin SCHEMBL5617866 0.57 MAOB (0.72) MAOBMAOAMTNR1AKDM4E
SCHEMBL5176726 0.57 MAOA (0.52) MAOBPPARGMAOAMTNR1AMTNR1B

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 384/4885PLA2G10 418/4885PLA2G1B 254/4885

“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.