SCHEMBL2828567

SCHEMBL2828567

COc1ccc2c(c1)N(Cc1ccc(COc3ccc(CCC(=O)OC(=O)C(F)(F)F)cc3)cc1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.54
HDAC6 Q9UBN7 7/20 0.54
HRH3 Q9Y5N1 9/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
FFAR1 O14842 2/20 0.41
RORC P51449 1/20 0.41

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 SCHEMBL2828565 0.89 HDAC1 (0.57) HDAC1HDAC6HRH3RXRARXRB
SCHEMBL2827682 0.86 HDAC1 (0.47) HDAC1HDAC6HRH3RXRARXRB
SCHEMBL13887168 0.86 HDAC1 (0.62) HDAC1HDAC6HRH3RXRARXRB
SCHEMBL2825244 0.77 HDAC1 (0.49) HDAC1HDAC6HRH3FFAR1
Trifluoroacetic Acid SCHEMBL2827678 0.74 FFAR1 (0.53) HDAC1HDAC6HRH3RXRARXRB
SCHEMBL2827594 0.73 L3MBTL1 (0.52) HRH3FFAR1
SCHEMBL2827661 0.73 HRH3 (0.42) HRH3
SCHEMBL2827644 0.72 FFAR1 (0.42) HRH3FFAR1
SCHEMBL2828356 0.72 HRH3 (0.39) HDAC1HRH3FFAR1
SCHEMBL2823222 0.72 FFAR4 (0.45) HRH3FFAR1

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-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

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 2789/4885HRH3 1315/4885

“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.