SCHEMBL811112

SCHEMBL811112

CC(=O)NCC1(C)CC(N=C=O)CC(C)(C)C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.42
OPRM1 P35372 1/20 0.35
OPRL1 P41146 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
SCHEMBL16321574 0.90 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHR
SCHEMBL9472521 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHR
SCHEMBL15836552 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHR
SCHEMBL16808763 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHR
SCHEMBL12644301 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHR
SCHEMBL17410249 0.86 TSHR (0.59) ALDH1A1CYP3A4TSHR
SCHEMBL12390924 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHR
SCHEMBL9344957 0.86 TSHR (0.59) ALDH1A1CYP3A4TSHR
SCHEMBL92203 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHR
SCHEMBL14037690 0.85 ALDH1A1 (0.65) ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134280-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-04 US disclosed
US-20160152739-A1 ISOCYANATE/SILOXANE POLYETHER COMPOSITION EVONIK DEGUSSA GMBH (DE) 2016-06-02 US disclosed
WO-2014202339-A1 ISOCYANATE/SILOXANE POLYETHER COMPOSITION EVONIK INDUSTRIES AG (DE) 2014-12-24 WO disclosed
US-20130030071-A1 END-FUNCTIONALIZED POLYMERS BASF SE (DE) 2013-01-31 US disclosed
US-7897688-B2 Amino group-terminal viscosifiers, resultant products and uses thereof SIKA TECHNOLOGY AG (CH) 2011-03-01 US disclosed
US-7897688-B2 Amino group-terminal viscosifiers, resultant products and uses thereof SIKA TECHNOLOGY AG (CH) 2011-03-01 US disclosed
US-20090247708-A1 Amino group-terminal viscosifiers, resultant products and uses thereof SIKA TECHNOLOGY AG (CH) 2009-10-01 US disclosed
US-20090247708-A1 Amino group-terminal viscosifiers, resultant products and uses thereof SIKA TECHNOLOGY AG (CH) 2009-10-01 US disclosed
EP-1919960-B1 AMINO GROUP-TERMINAL VISCOSIFIERS, RESULTANT PRODUCTS AND USES THEREOF SIKA TECHNOLOGY AG (CH) 2009-05-27 EP disclosed
WO-2007020266-A1 AMINO GROUP-TERMINAL VISCOSIFIERS, RESULTANT PRODUCTS AND USES THEREOF SIKA TECHNOLOGY AG (CH) 2007-02-22 WO disclosed
EP-1754721-A1 Amino groups terminated tougheners, their derivatives and their use Sika Technology AG (CH) 2007-02-21 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-20090247708-A1 Amino group-terminal viscosifiers, resultant products and uses thereof GFER, MMAB, AGER ALDH1A1 202/4885CYP3A4 2385/4885TSHR 4651/4885

“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.