SCHEMBL6055844

SCHEMBL6055844

C/C=C1\C[C@H]2C[C@@H](CCC2(C)C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.31
ESR1 P03372 1/20 0.31
CYP19A1 P11511 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL21440929 0.68 TSHR (0.33)
SCHEMBL5270933 0.66 ESR2 (0.41) ESR2ESR1MEN1ALDH1A1LMNA
SCHEMBL9395629 0.57 MAPK1 (0.30) ALDH1A1
SCHEMBL10021977 0.57 CYP1A2 (0.39) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL13686075 0.57 CYP1A2 (0.39) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL19060090 0.56
SCHEMBL9335352 0.56
SCHEMBL439887 0.55 CYP3A4 (0.33) CYP19A1MEN1LMNAMAPTKMT2A
SCHEMBL20746153 0.54
SCHEMBL767094 0.54

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 3 patents. 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
US-20180362431-A1 REACTION SEQUENCE FOR THE SYNTHESIS OF NOOTKATONE, DIHYDRONOOTKATONE, AND TETRAHYDRONOOTKATONE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2018-12-20 US disclosed
US-20060235247-A1 EFFICIENT AND ECONOMIC ASYMMETRIC SYNTHESIS OF NOOTKATONE, TETRAHYDRONOOTKATONE, THEIR PRECURSORS AND DERIVATIVES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2006-10-19 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 (3 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-20180362431-A1 REACTION SEQUENCE FOR THE SYNTHESIS OF NOOTKATONE, DIHYDRONOOTKATONE, AND TETRAHYDRONOOTKATONE DHPS, DEGS1, CYP51A1 ESR2 709/4885ESR1 1031/4885CYP19A1 209/4885
US-20060235247-A1 EFFICIENT AND ECONOMIC ASYMMETRIC SYNTHESIS OF NOOTKATONE, TETRAHYDRONOOTKATONE, THEIR PRECURSORS AND DERIVATIVES COASY, CYP51A1, ADRB2 ESR2 553/4885ESR1 1321/4885CYP19A1 215/4885
US-10435344-B2 Reaction sequence for the synthesis of nootkatone, dihydronootkatone, and tetrahydronootkatone DHPS, DEGS1, CYP51A1 ESR2 709/4885ESR1 1031/4885CYP19A1 209/4885

“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.