Phenylacetaldehyde

Phenylacetaldehyde

SCHEMBL112416

CCOC(C)OCC.O=CCc1ccccc1.OCC(O)CO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.37
TRPA1 O75762 3/20 0.37
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
METAP2 P50579 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
VDR P11473 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.33
PPARD Q03181 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
Phenylacetaldehyde SCHEMBL17267409 0.93 TSHR (0.38) TSHRHTTHPGDTRPA1LMNA
Phenylacetaldehyde SCHEMBL10892064 0.89 LMNA (0.39) TSHRHTTTRPA1LMNASMN1; SMN2
Phenylacetaldehyde SCHEMBL452558 0.89 LMNA (0.44) TSHRHTTLMNASMN1; SMN2L3MBTL1
Phenylacetaldehyde SCHEMBL1412189 0.86 LMNA (0.41) TSHRHTTLMNASMN1; SMN2L3MBTL1
Phenylacetaldehyde SCHEMBL28364088 0.84 MAOB (0.44) TSHRHPGDTRPA1LMNAALDH1A1
Benzaldehyde SCHEMBL872657 0.84 ALDH1A1 (0.42) TSHRHTTLMNAL3MBTL1ALDH1A1
Phenylacetaldehyde SCHEMBL28808052 0.81 ALDH1A1 (0.40) TSHRTRPA1LMNAALDH1A1MEN1
Phenylacetaldehyde SCHEMBL872936 0.81 TRPA1 (0.37) TSHRHTTHPGDTRPA1LMNA
Cinnamic Aldehyde SCHEMBL121945 0.79 ALDH1A1 (0.49) TRPA1LMNASMN1; SMN2L3MBTL1ALDH1A1
Benzaldehyde SCHEMBL17698491 0.79 ALDH1A1 (0.38) TSHRHTTLMNAL3MBTL1ALDH1A1

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 775 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364773-A Aromatic oil mixture 西姆莱斯股份公司 2022-04-15 CN claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
WO-2020015880-A1 BI-PHASE DEODORIZING COSMETIC COMPOSITION BEIERSDORF AG (DE) 2020-01-23 WO claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-20240240106-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-07-18 US disclosed
EP-3532018-B1 USE OF 1-[(4R)-4-METHYLCYCLOHEXEN-1-YL]ETHANONE AS AN AROMA CHEMICAL BASF SE (DE) 2024-07-17 EP disclosed
EP-4214211-B1 SECO-AMBRAKETALS SYMRISE AG (DE) 2024-07-10 EP disclosed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
EP-4393581-A2 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2024-07-03 EP disclosed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US disclosed
US-12023640-B2 Aqueous dispersion of microcapsules, and uses thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-07-02 US disclosed
US-20240209281-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-06-27 US disclosed
US-4657700-A PERFUMES GIVAUDAN CORPORATION (US) 1987-04-14 US disclosed
US-4617146-A TOBACCO; FOODS; BEVERAGES; PERFUMES GIVAUDAN CORPORATION (US) 1986-10-14 US disclosed
US-4402989-A ORGANOLEPTIC PROPERTIES GIVAUDAN CORPORATION (US) 1983-09-06 US disclosed
US-4390556-A FERMENTATION BY FUNGI; ORGANOLEPTIC; TOBACCO; FOODS; TEA GIVAUDAN CORPORATION (US) 1983-06-28 US disclosed
US-4390557-A Microbiological transformations of irone compounds GIVAUDAN CORPORATION (US) 1983-06-28 US disclosed
US-4347190-A ORGANOLEPTIC GIVAUDAN CORPORATION (US) 1982-08-31 US disclosed
US-4311860-A FUNGI, FORMATION OF CYCLOHEXYL ALCOHOLS OR KETONES GIVAUDAN CORPORATION (US) 1982-01-19 US disclosed
US-4255337-A SUBSTITUTED HEXENYL TETRAHYDROFURAN GIVAUDAN CORPORATION (US) 1981-03-10 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 (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-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH TSHR 4797/4885HTT 2111/4885HPGD 186/4885
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D TSHR 4578/4885HTT 2467/4885HPGD 603/4885

“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.