SCHEMBL22109231

SCHEMBL22109231

FCCOCCOCCOCC1CC/C=C/CCO1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19018503 1.00 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL19018553 1.00 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL22109441 0.80 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL31189826 0.75 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL13294314 0.74 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL19018802 0.73 — —
SCHEMBL22109082 0.73 — —
SCHEMBL19018754 0.73 — —
SCHEMBL19018521 0.73 — —
SCHEMBL19018543 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188540-A1 CONFORMATIONALLY STRAINED TRANS-CYCLOALKENES FOR RADIOLABELING UNIVERSITY OF DELAWARE (US) 2020-06-18 — — 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-20200188540-A1 CONFORMATIONALLY STRAINED TRANS-CYCLOALKENES FOR RADIOLABELING CYCS, PCNA, CTSS TSHR 316/4885SMN1; SMN2 4408/4885ALDH1A1 2567/4885

“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.

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