SCHEMBL725819

SCHEMBL725819

O=CCCCc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.54
ESR2 Q92731 1/20 0.54
ADRA2A P08913 3/20 0.50
SLC6A2 P23975 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2C P28335 1/20 0.50
HSPE1 P61604 1/20 0.50
HIF1A Q16665 1/20 0.50
TST Q16762 1/20 0.50

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
SCHEMBL27904932 0.98 ESR1 (0.52) ESR1ESR2ADRA2ASLC6A2ADORA3
SCHEMBL7247077 0.92 ESR1 (0.57) ESR1ESR2ADRA2ASLC6A2ADORA3
Glutaral SCHEMBL28173116 0.88 ESR1 (0.63) ESR1ESR2ADRA2ASLC6A2ADORA3
SCHEMBL351627 0.86 ESR1 (0.59) ESR1ESR2ADRA2ASLC6A2ADORA3
Hydroquinone SCHEMBL11122327 0.86 HIF1A (0.59) ESR1ESR2KDM4EALDH1A1LMNA
SCHEMBL13557815 0.83 CA2 (0.48) KDM4EALDH1A1HIF1ACA2BACE1
SCHEMBL20730241 0.83 CA2 (0.50) ALDH1A1HIF1AHSD17B10CA2L3MBTL1
SCHEMBL5908716 0.78 SPHK2 (0.40) CYP3A4HIF1A
SCHEMBL3246238 0.78 CYP2A6 (0.46) ALDH1A1CHRM2IGF1RALOX15TAAR1
SCHEMBL3245743 0.78 TAAR1 (0.46) LMNAIGF1RALOX15HTR3ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4106822-B1 COMPOSITION COMPRISING MICRO-ENCAPSULATED MALODOR CONTROL AGENTS AND THEIR USE FOR REDUCING MALODORS HENKEL AG & CO KGAA (DE) 2024-04-17 EP claimed
EP-3800184-B1 ACETAL / KETAL-BASED FRAGRANCE AND INSECT REPELLENT PRECURSOR COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-04-03 EP claimed
EP-3383359-B1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2022-08-03 EP claimed
EP-3713921-A1 HYDROLYTICALLY LABILE HETEROCYCLES OF ODORIFEROUS KETONES OR ODORIFEROUS ALDEHYDES Henkel AG & Co. KGaA (DE) 2020-09-30 EP claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
EP-3697752-A1 THERMOLABILE FRAGRANCE STORAGE SUBSTANCES OF FRAGRANT KETONES Henkel AG & Co. KGaA (DE) 2020-08-26 EP claimed
EP-3692047-A1 HYDROLYTICALLY LABILE SILYL ENOL ETHER FRAGRANCE KETONES OR ALDEHYDES Henkel AG & Co. KGaA (DE) 2020-08-12 EP claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
WO-2019101444-A1 HYDROLYTICALLY LABILE HETEROCYCLES OF ODORIFEROUS KETONES OR ODORIFEROUS ALDEHYDES HENKEL AG & CO. KGAA (DE) 2019-05-31 WO claimed
WO-2019076589-A1 HYDROLYSIS-LABILE DIENOLSILYL ETHERS OF ODORANT KETONES OR ODORANT ALDEHYDES HENKEL AG & CO. KGAA (DE) 2019-04-25 WO claimed
EP-1144566-B2 LAUNDRY AND CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 2010-05-19 EP claimed
EP-1123376-B1 LAUNDRY AND CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 2006-09-13 EP claimed
EP-1636288-A1 SELF-CROSSLINKING AQUEOUS POLYURETHANE DISPERSIONS Cytec Surface Specialties Austria GmbH (AT) 2006-03-22 EP claimed
EP-1095128-B1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT PROCTER & GAMBLE (US) 2005-04-20 EP claimed
EP-1144579-B1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT PROCTER & GAMBLE (US) 2005-01-19 EP claimed
WO-2004111103-A1 SELF-CROSSLINKING AQUEOUS POLYURETHANE DISPERSIONS CYTEC SURFACE SPECIALTIES AUSTRIA GMBH (AT) 2004-12-23 WO claimed
EP-0991327-B1 MICROORGANISM REDUCTION METHODS AND COMPOSITIONS FOR FOOD CLEANING PROCTER & GAMBLE (US) 2004-12-01 EP claimed
EP-0946699-B1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY PROCTER & GAMBLE (US) 2003-10-15 EP claimed
EP-0918835-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS PROCTER & GAMBLE (US) 2002-01-16 EP claimed
EP-0596493-B1 Fragrant peracetic acid-containing oxidizing composition NIPPON PEROXIDE CO LTD (JP) 1999-02-03 EP claimed

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-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 ESR1 3129/4885ESR2 3549/4885ADRA2A 3202/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 ESR1 3129/4885ESR2 3549/4885ADRA2A 3202/4885

“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.