SCHEMBL3711064

SCHEMBL3711064

CCCc1ccc(C(C)C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
THRB P10828 2/20 0.42
CA2 P00918 1/20 0.41
ACACA Q13085 1/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
MGLL Q99685 1/20 0.39
PLK1 P53350 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL13308116 1.00 ACACB (0.43) ACACBTHRBCA2ACACALPL
SCHEMBL27602186 0.85 HTR2A (0.51) THRBLPLLIPGMGLLKMT2A
SCHEMBL2701185 0.83 TSHR (0.47) CA2LPLLIPGPLK1HTT
SCHEMBL27753553 0.82 FAAH (0.35) HTTSMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL21628043 0.80 TYR (0.46) MGLL
SCHEMBL4573831 0.78 CA2 (0.44) ACACBTHRBCA2ACACALPL
SCHEMBL4574183 0.78 THRB (0.41) ACACBTHRBCA2ACACALPL
SCHEMBL31477474 0.78 FFAR1 (0.52) CA2ALDH1A1L3MBTL1
SCHEMBL16103898 0.78 IDO1 (0.43)
SCHEMBL5987622 0.78 FAAH (0.37) CA2HTTSMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297610-A1 FRAGRANCE COMPOSITION SYMRISE AG (DE) 2020-09-24 US claimed
US-20180344605-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2018-12-06 US claimed
EP-3383359-A1 A FRAGRANCE COMPOSITION Symrise AG (DE) 2018-10-10 EP claimed
WO-2017097434-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2017-06-15 WO claimed
WO-2017097438-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2017-06-15 WO claimed
EP-1848702-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS Flexitral, Inc. (US) 2007-10-31 EP claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO claimed
EP-4554572-A2 MIXTURES AND USES OF (2E)-3-(1,3-BENZODIOXOL-5-YL)-N-PHENYL-N-(TETRAHYDRO-3-FURANYL)-2-PROPENAMIDE Symrise AG (DE) 2025-05-21 EP disclosed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US disclosed
WO-2022207944-A9 NOVEL MIXTURES AND USES OF (2E)-3-(1,3-BENZODIOXOL-5-YL)-N-PHENYL-N-(TETRAHYDRO-3-FURANYL)-2-PROPENAMIDE SYMRISE AG (DE) 2022-12-15 WO disclosed
WO-2022207944-A2 NOVEL MIXTURES AND USES OF (2E)-3-(1,3-BENZODIOXOL-5-YL)-N-PHENYL-N-(TETRAHYDRO-3-FURANYL)-2-PROPENAMIDE SYMRISE AG (DE) 2022-10-06 WO disclosed
CN-115052932-A Composition, method for preparing copolymer and end use of copolymer 美国陶氏有机硅公司 2022-09-13 CN disclosed
US-11352587-B2 Fragrance mixtures SYMRISE AG (DE) 2022-06-07 US disclosed
WO-2010094356-A1 PRO-FRAGRANCE COPOLYMERIC COMPOUNDS HENKEL AG & CO. KGAA (DE) 2010-08-26 WO disclosed
EP-1848702-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS Flexitral, Inc. (US) 2007-10-31 EP disclosed
WO-2007111630-A1 COMPOUNDS WHICH RELEASE AN ODOR ON A CHANGE IN PH FLEXITRAL, INC. (US) 2007-10-04 WO disclosed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO disclosed
EP-0732350-B1 Process for producing optically active polyketone TAKASAGO PERFUMERY CO LTD (JP) 1999-06-02 EP disclosed
US-5631345-A REACTING CARBON MONOXIDE AND UNSATURATED COMPOUND IN PRESENCE OF PALLADIUM-PHOSHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-05-20 US disclosed
EP-0732350-A2 Process for producing optically active polyketone Takasago International Corporation (JP) 1996-09-18 EP 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-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH ACACB 81/4885THRB 4383/4885CA2 3615/4885
US-20200297610-A1 FRAGRANCE COMPOSITION NISCH, CUTA, CYP1B1 ACACB 314/4885THRB 4252/4885CA2 4188/4885
US-11352587-B2 Fragrance mixtures DHCR24, FAM120A, TRPA1 ACACB 545/4885THRB 1801/4885CA2 3956/4885
US-20180344605-A1 A FRAGRANCE COMPOSITION CUTA, NISCH, CYP1B1 ACACB 325/4885THRB 4445/4885CA2 4247/4885

“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.