SCHEMBL9947676

SCHEMBL9947676

CC1(COC(=O)OCC2(C)COC(=O)OC2)COC(=O)OC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.30
PRKCA P17252 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
SCHEMBL10165235 0.93 ALDH1A1 (0.43) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL10165095 0.91 SMN1; SMN2 (0.42) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL9947677 0.87 ATM (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10165240 0.87 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL1301357 0.85 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12175879 0.85 ALOX15 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10165018 0.85 ATM (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1301073 0.84 THRB (0.40) ALDH1A1
SCHEMBL13968333 0.81 TSHR (0.37) SMN1; SMN2ATMALDH1A1
SCHEMBL9282633 0.81 ALDH1A1 (0.40) ATMALDH1A1

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-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-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-8207351-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-26 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-20120252983-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM NOTUM, PFAS, PCNA SMN1; SMN2 1100/4885GABRP 1218/4885GABRD 3169/4885

“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.