SCHEMBL808089

SCHEMBL808089

CC(=O)/C=C(\C)CCC=C(C)C

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.72
ATM Q13315 1/20 0.72
POLB P06746 1/20 0.69
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.56
ALOX15 P16050 3/20 0.54
MEN1 O00255 3/20 0.54
CYP3A4 P08684 2/20 0.54
MAPT P10636 3/20 0.52
UGT1A1 P22309 1/20 0.52
FNTA P49354 3/20 0.52
FNTB P49356 3/20 0.52
SQLE Q14534 1/20 0.50
TRPA1 O75762 1/20 0.47

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
SCHEMBL5387180 1.00 KDM4E (0.72) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL1618744 1.00 KDM4E (0.72) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL13701615 0.96 KMT2A (0.67) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL9881031 0.96 KMT2A (0.67) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL10297986 0.96 KMT2A (0.67) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL11852033 0.96 KMT2A (0.67) KDM4EATMPOLBKMT2AALDH1A1
Citral SCHEMBL7771311 0.88 ALDH1A1 (0.78) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL794673 0.84 KDM4E (1.00) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL310619 0.84 KDM4E (1.00) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL29526077 0.84 KDM4E (1.00) KDM4EATMPOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923049-B2 Compositions of oxo-terpene derivatives and process for preparing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-12 US claimed
US-20090180972-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-07-16 US claimed
EP-1417896-B1 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INT FLAVORS & FRAGRANCES INC (US) 2008-08-13 EP claimed
US-7176177-B2 Aromas and aroma compositions containing 4,8-dimethyl-3,7-nonadien-2-one, and a method for the production thereof SYMRISE GMBH & CO. KG (DE) 2007-02-13 US claimed
US-7097872-B2 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2006-08-29 US claimed
US-20040091595-A1 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-05-13 US claimed
EP-1417896-A1 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-05-12 EP claimed
US-20030096731-A1 Aromas and aroma compositions containing 4,8-dimethyl-3,7-nonadien-2-one, and a method for production thereof SYMRISE AG (DE) 2003-05-22 US claimed
EP-1248532-A1 AROMAS AND AROMA COMPOSITIONS CONTAINING 4,8-DIMETHYL-3,7-NONADIEN-2-ONE Symrise GmbH & Co. KG (DE) 2002-10-16 EP claimed
US-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one SYMRISE GMBH & CO. KG (DE) 2001-06-28 US claimed
WO-2001043567-A1 AROMAS AND AROMA COMPOSITIONS CONTAINING 4,8-DIMETHYL-3,7-NONADIEN-2-ONE, AND A METHOD FOR THE PRODUCTION THEREOF HAARMANN & REIMER GMBH (DE) 2001-06-21 WO claimed
US-3932462-A Manufacture of unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-01-13 US claimed
CN-117865784-A Preparation method of alpha-damascone 亳州优开生物医药科技有限公司 2024-04-12 CN disclosed
CN-117865784-A Preparation method of alpha-damascone 亳州优开生物医药科技有限公司 2024-04-12 CN disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
WO-2001043567-A1 AROMAS AND AROMA COMPOSITIONS CONTAINING 4,8-DIMETHYL-3,7-NONADIEN-2-ONE, AND A METHOD FOR THE PRODUCTION THEREOF HAARMANN & REIMER GMBH (DE) 2001-06-21 WO disclosed
WO-2001043567-A1 AROMAS AND AROMA COMPOSITIONS CONTAINING 4,8-DIMETHYL-3,7-NONADIEN-2-ONE, AND A METHOD FOR THE PRODUCTION THEREOF HAARMANN & REIMER GMBH (DE) 2001-06-21 WO disclosed
US-3954804-A Production of high molecular weight unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3932462-A Manufacture of unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-01-13 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 (5 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-20030096731-A1 Aromas and aroma compositions containing 4,8-dimethyl-3,7-nonadien-2-one, and a method for production thereof TAS2R8, TAS2R7, TAS2R40 KDM4E 106/4885ATM 3875/4885POLB 1951/4885
US-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one DEK, DPM1, DEGS1 KDM4E 1351/4885ATM 3320/4885POLB 441/4885
US-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 KDM4E 3699/4885ATM 322/4885POLB 4295/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 KDM4E 3699/4885ATM 322/4885POLB 4295/4885
US-20090180972-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME OXER1, ALKBH3, ALKBH1 KDM4E 2272/4885ATM 905/4885POLB 3909/4885

“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.