SCHEMBL2827682

SCHEMBL2827682

O=C(CCc1ccc(OCc2ccc(CN3CCCc4ccccc43)cc2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
HRH3 Q9Y5N1 4/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KCNQ2 O43526 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 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
Trifluoroacetic Acid SCHEMBL2827678 0.88 FFAR1 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2828567 0.86 HDAC1 (0.54) HDAC1HDAC6HRH3FFAR1RXRA
SCHEMBL2825244 0.85 HDAC1 (0.49) HDAC1HDAC6HRH3MAPTFFAR1
SCHEMBL13065062 0.85 FFAR1 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2827594 0.81 L3MBTL1 (0.52) HRH3ALDH1A1FFAR1NPC1RAB9A
SCHEMBL2828356 0.78 HRH3 (0.39) HDAC1HDAC2HDAC8HRH3FFAR1
SCHEMBL2827644 0.76 FFAR1 (0.42) HRH3FFAR1FFAR4
SCHEMBL2822644 0.76 OPRM1 (0.48) HRH3FFAR1FFAR4NPC1RAB9A
SCHEMBL2826434 0.75 SPHK1 (0.52) HRH3NPC1RAB9A
SCHEMBL2824092 0.75 SPHK1 (0.52) HRH3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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 (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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 HDAC1 2167/4885HDAC6 2789/4885HDAC3 1558/4885

“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.