SCHEMBL22554450

SCHEMBL22554450

CCC[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C3)[C@@H]12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 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
SCHEMBL25641323 0.79 — —
SCHEMBL2991947 0.76 CA1 (0.39) CA1CA2CA4
SCHEMBL22551053 0.75 — —
SCHEMBL19260517 0.75 — —
SCHEMBL19260516 0.75 — —
SCHEMBL10708118 0.74 — —
SCHEMBL1397962 0.74 — —
SCHEMBL19250386 0.72 CA1 (0.34) CA1CA2CA4
SCHEMBL23223204 0.71 CA1 (0.44) CA1CA2CA4
SCHEMBL14123415 0.71 — —

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-11091418-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2021-08-17 — — US disclosed
US-20200331834-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-10-22 — — 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-20200331834-A1 NOVEL ORGANOLEPTIC COMPOUNDS TRPA1, TRPV1, TRPV5 CA1 1907/4885CA2 2848/4885CA4 549/4885
US-11091418-B2 Organoleptic compounds TRPA1, TRPV1, TRPV5 CA1 1409/4885CA2 2389/4885CA4 263/4885

“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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