SCHEMBL5270933

SCHEMBL5270933

CC1(C)CCC2CC1CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13421816 0.72 ESR2 (0.32) ESR2ESR1
SCHEMBL8183244 0.72 ESR2 (0.32) ESR2ESR1
SCHEMBL3224313 0.67 CA1 (0.32) ESR2KMT2A
SCHEMBL15957272 0.67 CA1 (0.32) ESR2KMT2A
SCHEMBL6055844 0.66 ESR2 (0.31) ESR2ESR1MEN1ALDH1A1LMNA
SCHEMBL13255133 0.64
SCHEMBL1266170 0.64
SCHEMBL19807604 0.64
SCHEMBL6435036 0.64 AKR1B10 (0.33) CYP3A4MEN1ALDH1A1LMNAMAPT
SCHEMBL10008216 0.64 TSHR (0.38) ESR2ESR1MAPT

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 7 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
WO-2017100437-A1 REACTION SEQUENCE FOR THE SYNTHESIS OF NOOTKATONE, DIHYDRONOOTKATONE, AND TETRAHYDRONOOTKATONE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2017-06-15 WO disclosed
EP-1868979-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 (US) 2007-12-26 EP disclosed
WO-2006113285-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 (US) 2006-10-26 WO 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
US-7112700-B1 Efficient and economic asymmetric synthesis of nootkatone, tetrahydronootkatone, their precursors and derivatives BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2006-09-26 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 1031/4885CYP3A4 126/4885
US-20060235247-A1 EFFICIENT AND ECONOMIC ASYMMETRIC SYNTHESIS OF NOOTKATONE, TETRAHYDRONOOTKATONE, THEIR PRECURSORS AND DERIVATIVES COASY, CYP51A1, ADRB2 ESR2 553/4885ESR1 1321/4885CYP3A4 174/4885
US-10435344-B2 Reaction sequence for the synthesis of nootkatone, dihydronootkatone, and tetrahydronootkatone DHPS, DEGS1, CYP51A1 ESR2 709/4885ESR1 1031/4885CYP3A4 126/4885

“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.