SCHEMBL22109441

SCHEMBL22109441

ISOCCOCCOCCOC[C@@H]1CC/C=C/CCO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL19018503 0.80 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL22109231 0.80 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL19018553 0.80 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL22109233 0.75 — —
SCHEMBL13294314 0.71 TSHR (0.54) TSHRSMN1; SMN2
SCHEMBL19018501 0.68 SLC12A2 (0.37) TSHR
SCHEMBL13301287 0.67 SMN1; SMN2 (0.48) TSHRSMN1; SMN2
SCHEMBL8210573 0.66 TSHR (0.48) TSHRSMN1; SMN2
SCHEMBL13455408 0.64 TSHR (0.52) TSHRSMN1; SMN2
SCHEMBL20182475 0.64 MEN1 (0.32) —

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 4408/4885

“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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