SCHEMBL1300684

SCHEMBL1300684

CC1(COC(=O)NCc2ccccc2)COC(=O)OC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
BCHE P06276 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
PPID Q08752 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
PLAU P00749 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL847441 0.77 TSHR (0.52) TSHRL3MBTL1MAPTMEN1KMT2A
SCHEMBL11810141 0.74 BCHE (0.45) BCHEL3MBTL1MAPTPPIDMEN1
SCHEMBL28772875 0.74 ALDH1A1 (0.43) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL10572163 0.73 PPID (0.47) TSHRBCHEL3MBTL1MAPTPPID
SCHEMBL10572166 0.73 PPID (0.47) TSHRBCHEL3MBTL1MAPTPPID
SCHEMBL10262393 0.73 TSHR (0.44) TSHRL3MBTL1MAPTMEN1KMT2A
SCHEMBL10165095 0.71 SMN1; SMN2 (0.42) SMN1; SMN2ATM
Benzene SCHEMBL8878788 0.71 PPID (0.64) TSHRMAPTPPIDMEN1KMT2A
SCHEMBL423344 0.71 PPID (0.64) TSHRMAPTPPIDMEN1KMT2A
SCHEMBL19124738 0.70 KMT2A (0.43) BCHEMAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410290-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-04-02 US disclosed
US-8410290-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-04-02 US disclosed
US-8389746-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-03-05 US disclosed
US-8389746-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-03-05 US disclosed
US-20120252983-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2012-10-04 US disclosed
US-20120252983-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2012-10-04 US disclosed
US-20120245304-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2012-09-27 US disclosed
US-20120245304-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2012-09-27 US disclosed
US-8207351-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-26 US disclosed
US-8207351-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-26 US disclosed
WO-2011135046-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT PENTAFLUOROPHENYL CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-11-03 WO disclosed
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2011-11-03 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 (2 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-20120252983-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM NOTUM, PFAS, PCNA TSHR 3395/4885BCHE 4154/4885L3MBTL1 4060/4885
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM NOTUM, PFAS, PCNA TSHR 3395/4885BCHE 4154/4885L3MBTL1 4060/4885

“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.