SCHEMBL6897568

SCHEMBL6897568

Cc1cc(F)ccc1OCCCO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
ALDH1A1 P00352 2/20 0.43
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 3/20 0.42
SLC6A4 P31645 1/20 0.40
ESR1 P03372 3/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
TLR8 Q9NR97 1/20 0.40
SSTR4 P31391 1/20 0.40
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL10078701 0.91 MRGPRX4 (0.48) MRGPRX4ALDH1A1NOTUMKDM4ESLC6A4
SCHEMBL21653635 0.89 MRGPRX4 (0.48) MRGPRX4ALDH1A1NOTUMKDM4ESLC6A4
SCHEMBL23677886 0.89 MRGPRX4 (0.51) MRGPRX4ALDH1A1NOTUMKDM4ESLC6A4
SCHEMBL21653636 0.87 MRGPRX4 (0.49) MRGPRX4ALDH1A1NOTUMKDM4ESLC6A4
SCHEMBL15223509 0.84 ESR1 (0.51) MRGPRX4ALDH1A1NOTUMKDM4ESLC6A4
SCHEMBL20684324 0.82 MRGPRX4 (0.43) MRGPRX4ALDH1A1NOTUMKDM4ESLC6A4
SCHEMBL12301113 0.82 ESR1 (0.51) MRGPRX4ALDH1A1ESR1
SCHEMBL14409236 0.81 HTR2C (0.49) MRGPRX4ALDH1A1NOTUMKDM4ESLC6A4
SCHEMBL11963241 0.81 SMN1; SMN2 (0.53) ALDH1A1KDM4E
SCHEMBL20684326 0.81 MRGPRX4 (0.43) MRGPRX4NOTUMKDM4ESLC6A4ESR1

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 1014/4885ALDH1A1 1190/4885NOTUM 2148/4885

“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.