SCHEMBL12044490

SCHEMBL12044490

CC(=O)c1c(O)c(O)c(C(C)=O)c2c1OCO2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
PRKCI P41743 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
ALOX5 P09917 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PTGES O14684 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
SCHEMBL12145715 0.69 CA12 (0.36) CYP3A4CA12CA9LMNAKDM4E
SCHEMBL28117211 0.68 CYP3A4 (0.43) CYP3A4THRBMEN1HPGDKMT2A
SCHEMBL6023652 0.67 CYP3A4 (0.48) CYP3A4THRBMEN1HPGDKMT2A
SCHEMBL22853917 0.64 ALOX5 (0.31) CYP3A4ALOX5
SCHEMBL22853918 0.64 ALOX5 (0.31) CYP3A4ALOX5
SCHEMBL30876313 0.62 CYP3A4 (0.42) CYP3A4THRBMEN1HPGDKMT2A
SCHEMBL9396621 0.60 CYP3A4 (0.37) CYP3A4THRBMEN1HPGDKMT2A
Acetone SCHEMBL28328307 0.60 LMNA (0.38) CYP3A4MEN1KMT2ACA1LMNA
SCHEMBL22991361 0.59 CYP3A4 (0.36) CYP3A4THRBMEN1HPGDKMT2A
SCHEMBL21061225 0.59 CYP3A4 (0.58) CYP3A4THRBMEN1HPGDKMT2A

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
US-8664410-B2 Fluorescent dye and use thereof UNIVERSITAT POTSDAM (DE) 2014-03-04 US disclosed
US-8664410-B2 Fluorescent dye and use thereof UNIVERSITAT POTSDAM (DE) 2014-03-04 US disclosed
EP-2399913-B1 Fluorescent dye and its application UNIV POTSDAM (DE) 2013-09-18 EP disclosed
US-20110319639-A1 Fluorescent Dye and Use Thereof UNIVERSITAT POTSDAM 2011-12-29 US disclosed
US-20110319639-A1 Fluorescent Dye and Use Thereof UNIVERSITAT POTSDAM 2011-12-29 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-20110319639-A1 Fluorescent Dye and Use Thereof AHR, ARNT, H1-0 CYP3A4 460/4885THRB 2334/4885MEN1 1799/4885

“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.