SCHEMBL4955356

SCHEMBL4955356

COc1cc(COC(=O)c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.70
KDM4E B2RXH2 1/20 0.67
POLB P06746 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 1/20 0.57
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 1/20 0.53
CYP1A2 P05177 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52

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
SCHEMBL1662759 0.93 MEN1 (0.63) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL1356478 0.92 HSD17B2 (0.72) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL4955367 0.92 HSD17B2 (0.60) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL1354883 0.91 HSD17B2 (0.67) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL31438953 0.88 TDP1 (0.57) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL4734462 0.88 HSD17B2 (0.55) HSD17B2KDM4EPOLBHDAC6TSHR
SCHEMBL22283475 0.88 TDP1 (0.57) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL8886989 0.88 HSD17B2 (0.67) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL13266606 0.86 HSD17B2 (0.60) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL13242577 0.84 CA12 (0.59) HSD17B2KDM4EPOLBHDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271174-A Compound with bisphenol structure, and preparation method and application thereof 同济大学 2024-07-02 CN claimed
US-20030036489-A1 Consumable composition comprising perfumed particles and article containing the same THE PROCTER & GAMBLE COMPANY 2003-02-20 US claimed
WO-2002090479-A1 PERFUMED PARTICLES AND ARTICLES CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
CN-118271174-A Compound with bisphenol structure, and preparation method and application thereof 同济大学 2024-07-02 CN disclosed
EP-2981179-B1 COMPOSITIONS COMPRISING VANILLIN AND VANILLYL VANILLATE SYMRISE AG (DE) 2020-03-04 EP disclosed
EP-2981179-A1 MATERIAL MIXTURES CONTAINING VANILLIN AND VANILLYL VANILLATE Symrise AG (DE) 2016-02-10 EP disclosed
EP-2981179-A1 MATERIAL MIXTURES CONTAINING VANILLIN AND VANILLYL VANILLATE Symrise AG (DE) 2016-02-10 EP disclosed
WO-2014131532-A1 MATERIAL MIXTURES CONTAINING VANILLIN AND VANILLYL VANILLATE SYMRISE AG (DE) 2014-09-04 WO disclosed
WO-2014131532-A1 MATERIAL MIXTURES CONTAINING VANILLIN AND VANILLYL VANILLATE SYMRISE AG (DE) 2014-09-04 WO disclosed
US-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
EP-1383858-A1 DRYER-ADDED FABRIC SOFTENING ARTICLES AND METHODS The Procter & Gamble Company (US) 2004-01-28 EP disclosed
EP-1383547-A2 AIR FRESHENING COMPOSITIONS, ARTICLES COMPRISING SAME AND METHODS FOR PREPARING SAME THE PROCTER & GAMBLE COMPANY (US) 2004-01-28 EP disclosed
US-20030036489-A1 Consumable composition comprising perfumed particles and article containing the same THE PROCTER & GAMBLE COMPANY 2003-02-20 US disclosed
US-20030024997-A1 Air freshening compositions, articles comprising same and methods THE PROCTER & GAMBLE COMPANY 2003-02-06 US disclosed
US-20030013632-A1 Dryer-added fabric softening articles and methods THE PROCTER & GAMBLE COMPANY 2003-01-16 US disclosed
WO-2002089862-A2 AIR FRESHENING COMPOSITIONS, ARTICLES COMPRISING SAME AND METHODS FOR PREPARING SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed
WO-2002090480-A1 DRYER-ADDED FABRIC SOFTENING ARTICLES AND METHODS THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 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-20030024997-A1 Air freshening compositions, articles comprising same and methods PIEZO1, TMEM63A, KIT HSD17B2 4460/4885KDM4E 2997/4885POLB 2278/4885
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES DSC1, DSG1, PIEZO1 HSD17B2 2272/4885KDM4E 3702/4885POLB 823/4885

“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.