SCHEMBL757462

SCHEMBL757462

C=CC(=O)NC(CN(C)C)OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ACACB O00763 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL28052416 0.77 TSHR (0.40) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL11320958 0.77 TSHR (0.38) TSHRALDH1A1HPGD
SCHEMBL771037 0.76 TSHR (0.41) TSHRALDH1A1MAPK1HPGD
SCHEMBL4759787 0.76 TSHR (0.50) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL6245506 0.74 TSHR (0.48) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL1038644 0.74 TSHR (0.44) TSHRALDH1A1MAPK1HPGD
SCHEMBL9746908 0.74 TSHR (0.54) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL7757770 0.74 TSHR (0.58) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL13370836 0.71 TSHR (0.45) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL5843329 0.71 TSHR (0.50) TSHRACACBALDH1A1MAPK1TDP1

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-20120052039-A1 Organosilicones THE PROCTER & GAMBLE COMPANY 2012-03-01 US disclosed
US-20110240065-A1 CARE POLYMERS THE PROCTER & GAMBLE COMPANY 2011-10-06 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-20120052039-A1 Organosilicones NISCH, XRCC6, RAD50 TSHR 4805/4885ACACB 2039/4885ALDH1A1 2605/4885

“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.