SCHEMBL3839248

SCHEMBL3839248

C=CC(=O)CC1=C(C)CCCC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.43
CYP1A2 P05177 2/20 0.43
RXRA P19793 7/20 0.42
RARB P10826 6/20 0.42
RARG P13631 6/20 0.42
RARA P10276 5/20 0.42
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPA1 O75762 4/20 0.36
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
PTGS1 P23219 3/20 0.35
RORC P51449 2/20 0.35
CYP3A4 P08684 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
MAPK1 P28482 2/20 0.35
HTR2B P41595 2/20 0.35
BLM P54132 2/20 0.35

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
SCHEMBL10679423 0.90 RARB (0.33) HAO1CYP1A2RXRARARBRARG
SCHEMBL757405 0.84 RARB (0.52) HAO1CYP1A2RXRARARBRARG
SCHEMBL10679352 0.82 RARB (0.47) HAO1CYP1A2RXRARARBRARG
SCHEMBL10687112 0.80 RARB (0.46) HAO1CYP1A2RXRARARBRARG
SCHEMBL959478 0.80 CYP1A2 (0.47) HAO1CYP1A2RXRARARBRARG
SCHEMBL17066873 0.78 ALDH1A1 (0.46) HAO1CYP1A2RXRARARBRARG
SCHEMBL3149214 0.77 HAO1 (0.38) HAO1CYP1A2RXRAALDH1A1
SCHEMBL4456372 0.77 CYP1A2 (0.41) HAO1CYP1A2RXRARARBRARG
SCHEMBL11040039 0.76 TRPA1 (0.37) ALDH1A1MAPTTRPA1ALOX15
SCHEMBL26054308 0.75 HAO1 (0.41) HAO1CYP1A2RXRARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882021-B1 PIGMENTED TINTING CONCENTRATES COMPRISING A DIELS ALDER HUMECTANT BASF SE (DE) 2016-07-27 EP claimed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
US-20250345252-A1 COMPOSITE MICROCAPSULES FIRMENICH & CIE (CH) 2025-11-13 US disclosed
US-12383477-B2 Composite microcapsules FIRMENICH SA (CH) 2025-08-12 US disclosed
US-20250170074-A1 PRECURSORS FOR THE CONTROLLED RELEASE OF A,B-UNSATURATED ALDEHYDES OR KETONES AND OTHER HIGH IMPACT FRAGRANCE SUBSTANCES SYMRISE AG (DE) 2025-05-29 US disclosed
EP-4373805-B1 PRECURSORS FOR THE CONTROLLED RELEASE OF ALPHA, BETA-UNSATURATED ALDEHYDES OR KETONES AND OTHER HIGH IMPACT FRAGRANCE SUBSTANCES SYMRISE AG (DE) 2025-04-09 EP disclosed
EP-4373805-A1 PRECURSORS FOR THE CONTROLLED RELEASE OF ALPHA,BETA-UNSATURATED ALDEHYDES OR KETONES AND OTHER HIGH IMPACT FRAGRANCE SUBSTANCES Symrise AG (DE) 2024-05-29 EP disclosed
WO-2023213922-A1 PRECURSORS FOR THE CONTROLLED RELEASE OF α,β-UNSATURATED ALDEHYDES OR KETONES AND OTHER HIGH IMPACT FRAGRANCE SUBSTANCES SYMRISE AG (DE) 2023-11-09 WO disclosed
US-20220175635-A1 COMPOSITE MICROCAPSULES FIRMENICH SA (CH) 2022-06-09 US disclosed
EP-3749281-A1 PERFUME COMPLEX AND SCENTED WATER COMPOSITION Expressions Parfumees (FR) 2020-12-16 EP disclosed
WO-2019154892-A1 PERFUME COMPLEX AND SCENTED WATER COMPOSITION EXPRESSIONS PARFUMÉES (FR) 2019-08-15 WO disclosed
EP-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 EP disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO disclosed
US-6441029-B1 D-.GAMMA.-TOCOTRIENOL, 2-DESMETHYLTOCOTRIENOL, D-.DELTA.-TOCOTRIENOL OR D-TOCOTRIENOL AND LOVASTATIN WISCONSIN ALUMNI RESEARCH FOUNDATION 2002-08-27 US disclosed
US-6133312-A ORALLY ADMINISTERING A SYNERGISTIC TOCOTRIENOL AND IONONE MIXTURE TO INHIBIT TUMOR GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-10-17 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 (4 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-20250170074-A1 PRECURSORS FOR THE CONTROLLED RELEASE OF A,B-UNSATURATED ALDEHYDES OR KETONES AND OTHER HIGH IMPACT FRAGRANCE SUBSTANCES FAAH2, TRPA1, FAAH HAO1 502/4885CYP1A2 129/4885RXRA 2098/4885
US-20220175635-A1 COMPOSITE MICROCAPSULES PLIN5, LIPA, PHOSPHO1 HAO1 1708/4885CYP1A2 3805/4885RXRA 3735/4885
US-20250345252-A1 COMPOSITE MICROCAPSULES PLIN5, LIPA, PHOSPHO1 HAO1 1708/4885CYP1A2 3805/4885RXRA 3735/4885
US-12383477-B2 Composite microcapsules PLIN5, LIPA, PHOSPHO1 HAO1 1708/4885CYP1A2 3805/4885RXRA 3735/4885

“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.