SCHEMBL22639508

SCHEMBL22639508

C=CCCC(C#N)(C#N)CCC=C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 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
SCHEMBL21091838 0.88 TSHR (0.42) ALDH1A1TSHR
SCHEMBL21048939 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL27674660 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL29673032 0.77 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL29120106 0.73 ATM (0.39) ALDH1A1
SCHEMBL2490971 0.73 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL21138744 0.72
SCHEMBL4058604 0.69 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL6052846 0.69
SCHEMBL23508853 0.66 TSHR (0.40) ALDH1A1TSHR

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-20210015932-A1 BIOORTHOGONAL COMPOSITIONS TAMBO, INC. 2021-01-21 US disclosed
US-10828373-B2 Bioorthogonal compositions TAMBO, INC. (US) 2020-11-10 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-10828373-B2 Bioorthogonal compositions CD47, EPHA2, MSN ALDH1A1 2304/4885TSHR 3076/4885
US-20210015932-A1 BIOORTHOGONAL COMPOSITIONS CD47, EPHA2, MSN ALDH1A1 2304/4885TSHR 3076/4885

“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.