SCHEMBL6897570

SCHEMBL6897570

Cc1cc(F)ccc1OCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
LMNA P02545 3/20 0.53
FFAR4 Q5NUL3 6/20 0.51
FFAR1 O14842 5/20 0.51
TSHR P16473 1/20 0.50
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.46
NOTUM Q6P988 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL14257320 0.92 TSHR (0.60) MRGPRX4FFAR4FFAR1TSHRL3MBTL1
SCHEMBL1520326 0.83 LMNA (0.51) LMNAFFAR4FFAR1TSHRL3MBTL1
SCHEMBL7824774 0.83 PKM (0.66) MRGPRX4L3MBTL1PKMNOTUM
SCHEMBL3724645 0.83 TSHR (0.66) MRGPRX4LMNAFFAR4FFAR1TSHR
SCHEMBL13527395 0.83 KDM4E (0.49) MRGPRX4LMNAFFAR4FFAR1TSHR
SCHEMBL21653636 0.82 MRGPRX4 (0.49) MRGPRX4TSHRL3MBTL1NOTUMKDM4E
SCHEMBL27535566 0.82 MCL1 (0.53) LMNAFFAR4FFAR1TSHRMCL1
SCHEMBL21596055 0.81 MRGPRX4 (0.51) MRGPRX4NOTUMKDM4E
SCHEMBL23677886 0.81 MRGPRX4 (0.51) MRGPRX4L3MBTL1NOTUMKDM4ETP53
SCHEMBL21653635 0.81 MRGPRX4 (0.48) MRGPRX4L3MBTL1NOTUMKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 MRGPRX4 1014/4885LMNA 1196/4885FFAR4 4270/4885

“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.