SCHEMBL4128906

SCHEMBL4128906

CC(C)(C)OC(=O)N(CCCO)Cc1cccc(CC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LPAR1 Q92633 4/20 0.40
LPAR2 Q9HBW0 1/20 0.40
SSTR4 P31391 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BACE1 P56817 1/20 0.38
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GRIN2D O15399 1/20 0.37

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
SCHEMBL13849611 0.88 TLR7 (0.42) GLSHDAC1HDAC3HDAC2NCOR2
SCHEMBL1848202 0.86 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1802397 0.83 HDAC1 (0.43) GLSHDAC1HDAC3HDAC2NCOR2
SCHEMBL5737640 0.82 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1799972 0.82 HDAC1 (0.43) GLSHDAC1HDAC3HDAC2NCOR2
SCHEMBL7983340 0.81 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL7973240 0.81 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1801898 0.81 GLS (0.46) GLSHDAC1HDAC3HDAC2NCOR2
SCHEMBL30877118 0.81 ALDH1A1 (0.51) CYP1A2CYP2C19
SCHEMBL19078960 0.80 MAPT (0.43) GLSHDAC1HDAC3HDAC2NCOR2

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
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 GLS 1172/4885HDAC1 945/4885HDAC3 2429/4885

“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.