SCHEMBL603118

SCHEMBL603118

CCOC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.38
SOAT1 P35610 1/20 0.35

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
SCHEMBL601373 0.92 BCHE (0.53) BCHEALDH1A1SOAT1
Isosorbide SCHEMBL20917655 0.86 ALDH1A1 (0.52) BCHEMAPTTHRBLMNAALDH1A1
SCHEMBL14007778 0.85 BCHE (0.51) BCHEALDH1A1SOAT1
SCHEMBL2816474 0.84 MAPT (0.55) BCHEMAPTTHRBLMNAALDH1A1
SCHEMBL15890444 0.84 MAPT (0.55) BCHEMAPTTHRBLMNAALDH1A1
SCHEMBL602195 0.81 BCHE (0.49) BCHEMAPTTHRBLMNA
SCHEMBL18357172 0.80 BCHE (0.43) BCHEMAPTTHRBLMNAALDH1A1
SCHEMBL11168033 0.80 BCHE (0.52) BCHEMAPTTHRBLMNA
SCHEMBL16681677 0.80 BCHE (0.52) BCHEMAPTTHRBLMNA
SCHEMBL12488277 0.80 BCHE (0.52) BCHEMAPTTHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399601-B2 Method for preparing a dialkyl carbonate of dianhydrohexitol ROQUETTE FRERES (FR) 2013-03-19 US disclosed
US-20120041169-A1 METHOD FOR PREPARING A DIALKYL CARBONATE OF DIANHYDROHEXITOL ROQUETTE FRERES (FR) 2012-02-16 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-20120041169-A1 METHOD FOR PREPARING A DIALKYL CARBONATE OF DIANHYDROHEXITOL TREH, DCXR, ADH1C BCHE 359/4885MAPT 4471/4885THRB 1840/4885

“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.