SCHEMBL16920596

SCHEMBL16920596

COC1COC2C(CO)COC12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.35
ALDH1A1 P00352 1/20 0.31
EPHA2 P29317 3/20 0.31
KDR P35968 3/20 0.31
EPHB4 P54760 3/20 0.31
ERBB2 P04626 2/20 0.31
FLT1 P17948 2/20 0.31
EGFR P00533 1/20 0.31
MAPT P10636 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
SCHEMBL15887264 1.00 BCHE (0.35) BCHEALDH1A1EPHA2KDREPHB4
SCHEMBL26383424 0.82 BCHE (0.36) BCHEALDH1A1EPHA2KDREPHB4
SCHEMBL24621365 0.82 BCHE (0.36) BCHEALDH1A1EPHA2KDREPHB4
SCHEMBL24621369 0.82 BCHE (0.36) BCHEALDH1A1EPHA2KDREPHB4
SCHEMBL17456251 0.80 EPHA2 (0.35) BCHEALDH1A1EPHA2KDREPHB4
SCHEMBL20105321 0.80 EPHA2 (0.35) BCHEALDH1A1EPHA2KDREPHB4
SCHEMBL1368298 0.80 ALDH1A1 (0.42) BCHEALDH1A1MAPT
SCHEMBL17252148 0.80 ALDH1A1 (0.42) BCHEALDH1A1MAPT
SCHEMBL21699136 0.80 THRB (0.38)
SCHEMBL22627598 0.80 ALDH1A1 (0.42) BCHEALDH1A1MAPT

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-9321783-B2 Method for preparing dialkyloxydianhyrohexitol by etherification of dianhydrohexitol using a light alcohol, in the presence of an acidic catalyst ROQUETTE FRERES (FR) 2016-04-26 US disclosed
US-20150203507-A1 METHOD FOR PREPARING DIALKYLOXYDIANHYROHEXITOL BY ETHERIFICATION OF DIANHYDROHEXITOL USING A LIGHT ALCOHOL, IN THE PRESENCE OF AN ACIDIC CATALYST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2015-07-23 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-20150203507-A1 METHOD FOR PREPARING DIALKYLOXYDIANHYROHEXITOL BY ETHERIFICATION OF DIANHYDROHEXITOL USING A LIGHT ALCOHOL, IN THE PRESENCE OF AN ACIDIC CATALYST ADH1C, SI, SORD BCHE 460/4885ALDH1A1 854/4885EPHA2 3883/4885

“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.