SCHEMBL2399252

SCHEMBL2399252

Cn1cccc1/C=C/c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TBXAS1 P24557 2/20 0.43
FBP1 P09467 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
FHIT P49789 1/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HDAC1 Q13547 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
XDH P47989 1/20 0.41
TTR P02766 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
SCHEMBL2399255 1.00 EP300 (0.48) EP300KAT8TRIM24TRIM33ALDH1A1
SCHEMBL2400966 0.98 EP300 (0.47) EP300KAT8TRIM24TRIM33ALDH1A1
SCHEMBL2400973 0.98 EP300 (0.47) EP300KAT8TRIM24TRIM33ALDH1A1
Lithium Ion SCHEMBL2400971 0.84 TRIM24 (0.43) EP300KAT8TRIM24TRIM33ALDH1A1
SCHEMBL2399812 0.83 PTPN1 (0.52) TRIM24TRIM33ALDH1A1FBP1TDP1
SCHEMBL2399810 0.83 PTPN1 (0.52) TRIM24TRIM33ALDH1A1FBP1TDP1
SCHEMBL2787808 0.81 TRIM24 (0.52) TRIM24TRIM33ALDH1A1TDP1L3MBTL1
SCHEMBL12086582 0.81 TRIM24 (0.52) TRIM24TRIM33ALDH1A1TDP1L3MBTL1
SCHEMBL2787807 0.81 TRIM24 (0.52) TRIM24TRIM33ALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL994965 0.78 ALDH1A1 (0.65) ALDH1A1TBXAS1FBP1RARARARB

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-2066627-B1 NOVEL MINOR GROOVE BINDERS UNIV STRATHCLYDE (GB) 2013-10-23 EP disclosed
US-8012967-B2 Minor groove binders UNIVERSITY OF STRATHCLYDE (GB) 2011-09-06 US disclosed
US-20100016311-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2010-01-21 US disclosed
EP-2066627-A1 NOVEL MINOR GROOVE BINDERS The University of Strathclyde (GB) 2009-06-10 EP disclosed
WO-2008038018-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2008-04-03 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-20100016311-A1 NOVEL MINOR GROOVE BINDERS TOP2B, DNA2, CTCF EP300 148/4885KAT8 1854/4885TRIM24 1532/4885

“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.