SCHEMBL23248048

SCHEMBL23248048

Cc1cc(CC(C)(C)C)ccc1CC(C)C=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ELANE P08246 1/20 0.35
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL29671366 1.00 TP53 (0.47) TP53TSHRELANETHRATHRB
SCHEMBL16245769 0.83 TSHR (0.44) TP53TSHRESR1
SCHEMBL29671369 0.83 TSHR (0.44) TP53TSHRESR1
SCHEMBL16245812 0.83 TSHR (0.44) TP53TSHRELANE
SCHEMBL8849716 0.80 TSHR (0.60) TP53TSHRELANE
SCHEMBL11478295 0.79 TP53 (0.68) TP53TSHRELANETHRATHRB
SCHEMBL23248044 0.75 ESR1 (0.35) THRATHRBESR1
SCHEMBL16245780 0.74 LMNA (0.40) TP53TSHRELANEESR1
SCHEMBL13802284 0.74 ESR2 (0.49) TP53TSHRELANEESR1
SCHEMBL17013416 0.72 ESR1 (0.45) THRATHRBESR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116338-B2 Aldehyde compound and method for producing same, and fragrance composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-10-15 — — US disclosed
CN-114555552-B Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2024-06-14 — — CN disclosed
US-20240158331-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-16 — — US disclosed
EP-4046985-B1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2023-11-01 — — EP disclosed
EP-4046985-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-08-24 — — EP disclosed
CN-114555552-A Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2022-05-27 — — CN disclosed
WO-2021075517-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION 三菱瓦斯化学株式会社 2021-04-22 — — WO disclosed
WO-2021075517-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION 三菱瓦斯化学株式会社 2021-04-22 — — 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 (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-12116338-B2 Aldehyde compound and method for producing same, and fragrance composition ALDH1A1, ALDH16A1, ALDH5A1 TP53 3148/4885TSHR 4790/4885ELANE 1525/4885
US-20240158331-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION ALDH1A1, ALDH16A1, ALDH5A1 TP53 3148/4885TSHR 4790/4885ELANE 1525/4885

“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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