SCHEMBL14552012

SCHEMBL14552012

CC(C)N=C1C=CC(=O)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.44
ALDH1A1 P00352 1/20 0.42
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MDM2 Q00987 1/20 0.42
DHODH Q02127 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 2/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32

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
SCHEMBL7634802 0.86
SCHEMBL12330836 0.69
SCHEMBL1255910 0.67 ALDH1A1 (0.57) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL29080995 0.67 ALDH1A1 (0.57) MIFALDH1A1BCHEPOLBMAOA
SCHEMBL7093744 0.66 ALDH1A1 (0.33) ALDH1A1MAPK1IDO1
Benzoquinone SCHEMBL28597092 0.65 ALDH1A1 (0.80) MIFALDH1A1BCHEPOLBMAOA
SCHEMBL11345168 0.65
Benzoquinone SCHEMBL460082 0.65 ALDH1A1 (1.00) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL18103 0.65
Benzoquinone SCHEMBL10506648 0.65 ALDH1A1 (1.00) MIFALDH1A1BCHEPOLBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796489-B2 Ketobenzofuran derivatives, method for synthesizing same, and intermediates SANOFI (FR) 2014-08-05 US disclosed
US-8796489-B2 Ketobenzofuran derivatives, method for synthesizing same, and intermediates SANOFI (FR) 2014-08-05 US disclosed
US-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES SANOFI (FR) 2013-01-10 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-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES NNMT, DHPS, NDUFC1 MIF 4191/4885ALDH1A1 377/4885BCHE 569/4885

“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.