SCHEMBL21440929

SCHEMBL21440929

C/C=C1\CC2CC(C1=O)C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL712867 0.74 TSHR (0.41) TSHRMAPK1
SCHEMBL2386996 0.72 CES2 (0.36) TSHRMAPK1
SCHEMBL7848138 0.71 ALDH1A1 (0.38) MAPK1
SCHEMBL7839983 0.71 DYRK1A (0.49)
SCHEMBL6055844 0.68 ESR2 (0.31)
SCHEMBL24766475 0.64 TSHR (0.35) TSHRMAPK1
SCHEMBL217966 0.64 TSHR (0.35) TSHRMAPK1
SCHEMBL10008216 0.58 TSHR (0.38) TSHRMAPK1
SCHEMBL19621509 0.58 TSHR (0.38) TSHRMAPK1
SCHEMBL712868 0.58 TSHR (0.38) TSHRMAPK1

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-10435344-B2 Reaction sequence for the synthesis of nootkatone, dihydronootkatone, and tetrahydronootkatone BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (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-10435344-B2 Reaction sequence for the synthesis of nootkatone, dihydronootkatone, and tetrahydronootkatone DHPS, DEGS1, CYP51A1 TSHR 3592/4885MAPK1 2127/4885

“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.