SCHEMBL22495530

SCHEMBL22495530

C=CCCCC#CCCO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 3/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL19331718 0.86 USP2 (0.38) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL19331610 0.86 USP2 (0.38) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL25764311 0.86 USP2 (0.38) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL28733941 0.78 USP2 (0.39) TSHRALDH1A1TRPA1ABCC4MAPT
SCHEMBL5855326 0.75 TSHR (0.55) TSHRALDH1A1TRPA1
SCHEMBL5856184 0.75
SCHEMBL7284670 0.75 TSHR (0.62) TSHRALDH1A1TRPA1MAPTUSP2
SCHEMBL14855845 0.74
SCHEMBL15776014 0.74
SCHEMBL7279691 0.73 TSHR (0.61) TSHRALDH1A1MAPTUSP2

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-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination THE TRUSTEES OF BOSTON COLLEGE (MA) 2021-11-02 US disclosed
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION TRUSTEES OF BOSTON COLLEGE (US) 2020-10-08 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 (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-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination STS, SRM, SCLY TSHR 2051/4885ALDH1A1 725/4885TRPA1 3562/4885
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION STS, SCLY, SRM TSHR 2046/4885ALDH1A1 742/4885TRPA1 3636/4885

“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.