SCHEMBL17600607

SCHEMBL17600607

CCCCNC[SiH](OC(C)(C)CC)OC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.34
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL17600623 0.84 TSHR (0.41) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL17600617 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL15135129 0.78 TSHR (0.33) TSHRALDH1A1TDP1
SCHEMBL17600628 0.73 ALDH1A1 (0.30) TSHRALDH1A1TDP1
SCHEMBL17600639 0.73 ALDH1A1 (0.36) TSHRALDH1A1TDP1
SCHEMBL28434742 0.73 TSHR (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL17600613 0.71 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL28607687 0.71 TSHR (0.44) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL17600591 0.68 ALDH1A1 (0.32) TSHRALDH1A1TDP1
SCHEMBL15135088 0.67 TSHR (0.43) TSHRALDH1A1TDP1

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-9677178-B2 Alkoxyaminosilane compounds and applications thereof VERSUM MATERIALS US, LLC (US) 2017-06-13 US claimed
US-20160083847-A1 ALKOXYAMINOSILANE COMPOUNDS AND APPLICATIONS THEREOF AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-03-24 US claimed

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-20160083847-A1 ALKOXYAMINOSILANE COMPOUNDS AND APPLICATIONS THEREOF S1PR3, NPR3, C1R TSHR 537/4885ALDH1A1 3968/4885ADH1B 3897/4885

“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.