SCHEMBL20925941

SCHEMBL20925941

C=CCOCC(COCC=C)OCC1CO1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 2/20 0.35
CA7 P43166 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL30529277 0.97 ALDH1A1 (0.65) ALDH1A1CA1CA2CA9TSHR
SCHEMBL22445077 0.90 ALDH1A1 (0.65) ALDH1A1CA1CA2CA9TSHR
SCHEMBL22164058 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL22592522 0.81 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL17011976 0.81 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL36444 0.81 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL6856775 0.80 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL10080567 0.79 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL8064669 0.78
SCHEMBL15162 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919919-B2 Epoxy-functional alkoxysilanes, method for the production and use thereof EVONIK OPERATIONS GMBH (DE) 2021-02-16 US disclosed
US-20200331937-A1 Novel epoxy-functional alkoxysilanes, method for the production and use thereof EVONIK OPERATIONS GMBH (DE) 2020-10-22 US disclosed
WO-2019076594-A1 NOVEL EPOXY-FUNCTIONAL ALKOXYSILANES, METHOD FOR THE PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2019-04-25 WO disclosed
EP-3473631-A1 NEW EPOXY-FUNCTIONAL ALKOXYSILANES, METHOD FOR THEIR PREPARATION AND THEIR USE Evonik Degussa GmbH (DE) 2019-04-24 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 (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-10919919-B2 Epoxy-functional alkoxysilanes, method for the production and use thereof EPX, EPHX2, GNE ALDH1A1 260/4885CA1 1780/4885CA2 2894/4885
US-20200331937-A1 Novel epoxy-functional alkoxysilanes, method for the production and use thereof EPX, EPHX2, GNE ALDH1A1 237/4885CA1 1630/4885CA2 2978/4885

“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.