SCHEMBL6572573

SCHEMBL6572573

CCCC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B3 P37058 1/20 0.46
TP53BP1 Q12888 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
USP5 P45974 1/20 0.45
KAT6A Q92794 1/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
MDM4 O15151 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TP53 P04637 1/20 0.43
TYR P14679 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL10172211 0.90 HSD17B3 (0.49) L3MBTL1HSD17B3TP53BP1RXRARXRB
SCHEMBL4227994 0.86 TP53BP1 (0.48) HPGDSMN1; SMN2L3MBTL1TP53BP1RXRA
SCHEMBL29153730 0.83 HSD17B3 (0.57) HPGDSMN1; SMN2L3MBTL1HSD17B3MAPT
SCHEMBL6580274 0.82 TP53BP1 (0.48) HPGDSMN1; SMN2TP53BP1RXRARXRB
SCHEMBL10447489 0.81 MMP1 (0.48) HPGDSMN1; SMN2TP53BP1USP5KAT6A
SCHEMBL18552569 0.81 TP53BP1 (0.47) HPGDSMN1; SMN2TP53BP1RXRARXRB
SCHEMBL11744047 0.81 GSK3B (0.52) HPGDSMN1; SMN2TP53BP1RXRARXRB
SCHEMBL4595838 0.79 MAPT (0.59) HPGDSMN1; SMN2TP53BP1RXRARXRB
SCHEMBL15761188 0.79 HTR7 (0.50) SMN1; SMN2L3MBTL1HSD17B3MAPTKDM4E
SCHEMBL11698417 0.79 TDP1 (0.64) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021900-B1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2023-10-11 EP claimed
EP-4096618-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2022-12-07 EP claimed
US-20220281834-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2022-09-08 US claimed
EP-4021900-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2022-07-06 EP claimed
WO-2022122143-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2022-06-16 WO claimed
WO-2021037806-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2021-03-04 WO claimed
US-20240301331-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-09-12 US disclosed
CN-114096283-B Method of atomizing a fluid composition 宝洁公司 2024-04-16 CN disclosed
EP-4294906-A1 IMPROVEMENT IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-12-27 EP disclosed
US-11760960-B2 Solid fragrance-containing composition with an inorganic/organic rheology modifier mixture HENKEL AG & CO. KGAA (DE) 2023-09-19 US disclosed
WO-2022175314-A1 IMPROVEMENT IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-08-25 WO disclosed
CN-109476570-B 6-isopropyl-2, 4-dimethylcyclohexen-1-ol compounds as fragrance ingredients 奇华顿股份有限公司 2022-06-07 CN disclosed
US-20200255769-A1 Solid Fragrance-Containing Composition HENKEL AG & CO. KGAA (DE) 2020-08-13 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
EP-2799864-A1 Method to evaluate fragrance compositions The Procter and Gamble Company (US) 2014-11-05 EP disclosed
EP-2799863-A1 Method to evaluate fragrance compositions The Procter and Gamble Company (US) 2014-11-05 EP disclosed
EP-1385470-A1 FRAGRANT MIXTURES WITH INCREASED STRENGTH OF ODOR Symrise GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002076421-A1 FRAGRANT MIXTURES WITH INCREASED STRENGTH OF ODOR SYMRISE GMBH & CO. KG (DE) 2002-10-03 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HPGD 302/4885SMN1; SMN2 2122/4885L3MBTL1 2574/4885
US-20220281834-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT DRD4, HTR5A, HTR4 HPGD 985/4885SMN1; SMN2 2116/4885L3MBTL1 3128/4885

“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.