SCHEMBL21889567

SCHEMBL21889567

C=C(C)C1CC=C(C)C(CC=O)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 3/20 0.50
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
CYP1B1 Q16678 1/20 0.37
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL11651037 0.85 TSHR (0.49) TSHRTP53ALOX15TRPA1ALDH1A1
SCHEMBL16796035 0.81 TSHR (0.57) TSHRTP53ALOX15TRPA1ALDH1A1
SCHEMBL20485494 0.81 TSHR (0.57) TSHRTP53ALOX15TRPA1ALDH1A1
SCHEMBL16634069 0.81 TSHR (0.57) TSHRTP53ALOX15TRPA1ALDH1A1
SCHEMBL29012229 0.76 TSHR (0.59) TSHRTP53ALOX15TRPA1ALDH1A1
SCHEMBL9839707 0.76 TSHR (0.59) TSHRTP53ALOX15TRPA1ALDH1A1
SCHEMBL26702663 0.75 TSHR (0.31) TSHRTP53ALOX15
SCHEMBL19919416 0.72 TSHR (0.66) TSHRTP53ALOX15TRPA1ALDH1A1
SCHEMBL21889570 0.71
SCHEMBL21834453 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853199-B1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS SYMRISE AG (DE) 2023-10-25 EP disclosed
US-20220033338-A1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN- 1-YL-)ACETALDEHYDE AND 2-(6-ISOPROPYL- 3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS SYMRISE AG (DE) 2022-02-03 US disclosed
WO-2020057741-A1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS SYMRISE AG (DE) 2020-03-26 WO 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-20220033338-A1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN- 1-YL-)ACETALDEHYDE AND 2-(6-ISOPROPYL- 3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS ADH5, PIR, ACLY TSHR 4855/4885TP53 3308/4885ALOX15 682/4885

“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.