SCHEMBL3947952

SCHEMBL3947952

CCCC(C=O)(CCC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
FDPS P14324 2/20 0.31
ACLY P53396 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7135641 0.91 MEN1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL6024752 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28299078 0.82 CES2 (0.42) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL4706953 0.79 MEN1 (0.33) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL15442979 0.76
SCHEMBL28101100 0.75 LMNA (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5709860 0.75 FFAR3 (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11124099 0.75 ALDH1A1 (0.32) ALDH1A1CYP1A2KMT2AACLYHSD17B10
SCHEMBL11124088 0.75 ALDH1A1 (0.32) ALDH1A1CYP1A2KMT2AACLYHSD17B10
SCHEMBL6154156 0.74 CES2 (0.40) ALDH1A1MEN1KMT2AHSD17B10

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-2051735-A2 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AS WELL AS THEIR USE IN TREATING CNS DISORDERS Ramot, at Tel Aviv University Ltd. (IL) 2009-04-29 EP disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
WO-2008062471-A2 A MILD METHOD FOR THE PRODUCTION OF DI-N-PROPYLACETIC ACID (VALPROIC ACID) CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2008-05-29 WO disclosed
WO-2008010223-A2 CONJUGATES COMPRISING A PSYCHOTROPIC DRUG OR A GABA AGONIST AND AN ORGANIC ACID AND THEIR USE IN TREATING PAIN AND OTHER CNS DISORDERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-01-24 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-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B FFAR3 830/4885HDAC3 2865/4885HDAC1 2908/4885

“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.