SCHEMBL3886986

SCHEMBL3886986

CC(CO)OC(=O)OC(C)CO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKCA P17252 2/20 0.32
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL28638213 0.89
SCHEMBL7363048 0.83 TSHR (0.30) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15446662 0.81 TSHR (0.42) TSHRTDP1LMNACYP2C9SMN1; SMN2
SCHEMBL36038 0.80
SCHEMBL2153425 0.80
SCHEMBL320015 0.80
SCHEMBL2153285 0.80
SCHEMBL12262559 0.79 MAPT (0.39) TSHRTDP1MAPTLMNAPRKCA
SCHEMBL4812705 0.78 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
Water SCHEMBL251200 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488835-B2 Process for the preparation of alkylene carbonates SHELL OIL COMPANY (US) 2009-02-10 US disclosed
EP-1910327-B1 PROCESS FOR THE PREPARATION OF ALKYLENE CARBONATES SHELL INT RESEARCH (NL) 2009-01-14 EP disclosed
EP-1910327-A1 PROCESS FOR THE PREPARATION OF ALKYLENE CARBONATES Shell Internationale Research Maatschappij B.V. (NL) 2008-04-16 EP disclosed
US-20070179303-A1 PROCESS FOR THE PREPARATION OF ALKYLENE CARBONATES SHELL OIL COMPANY 2007-08-02 US disclosed
WO-2007014958-A1 PROCESS FOR THE PREPARATION OF ALKYLENE CARBONATES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-02-08 WO disclosed
EP-0839811-B1 Method for catalytic conversion of carbon dioxide ISKRA INDUSTRY CO LTD (JP) 2002-06-12 EP 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-20070179303-A1 PROCESS FOR THE PREPARATION OF ALKYLENE CARBONATES CA12, CYCS, CTRC TSHR 3106/4885CHRM2 1132/4885CHRM4 697/4885

“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.