SCHEMBL21440733

SCHEMBL21440733

CCOC[C@H]1[C@@H]2CC/C=C/CC[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.33
▸ HCAR2 Q8TDS4 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
SCHEMBL17570462 1.00 RAB9A (0.33) RAB9AHCAR2
SCHEMBL15305946 0.83 SMN1; SMN2 (0.34) —
SCHEMBL15498447 0.81 — —
SCHEMBL17814863 0.77 NPC1 (0.31) RAB9A
SCHEMBL15305931 0.75 — —
SCHEMBL15305937 0.75 — —
SCHEMBL14981490 0.74 HCAR2 (0.30) HCAR2
SCHEMBL18845140 0.74 HCAR2 (0.30) HCAR2
SCHEMBL14241127 0.72 MAPK1 (0.46) —
SCHEMBL19018754 0.72 — —

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-10434197-B2 Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes UNIVERSITY OF DELAWARE (US) 2019-10-08 — — 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 (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-10434197-B2 Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes TTL, TALDO1, TTI1 RAB9A 3845/4885HCAR2 1834/4885

“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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