SCHEMBL4955367

SCHEMBL4955367

COc1cc(COC(=O)c2ccc(OCc3ccc(O)c(OC)c3)c(OC)c2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.60
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
TNFRSF1A P19438 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 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
SCHEMBL4955356 0.92 HSD17B2 (0.70) HSD17B2KDM4EPOLBHDAC6SMN1; SMN2
SCHEMBL1662759 0.85 MEN1 (0.63) HSD17B2KDM4EPOLBHDAC6SMN1; SMN2
SCHEMBL1356478 0.85 HSD17B2 (0.72) HSD17B2KDM4EPOLBHDAC6SMN1; SMN2
SCHEMBL1354883 0.84 HSD17B2 (0.67) HSD17B2KDM4EPOLBHDAC6SMN1; SMN2
SCHEMBL2087641 0.83 NPC1 (0.71) KDM4EHDAC6SMN1; SMN2MAPTCYP1A2
SCHEMBL31438953 0.81 TDP1 (0.57) HSD17B2KDM4EPOLBHDAC6CYP3A4
SCHEMBL8886989 0.81 HSD17B2 (0.67) HSD17B2KDM4EPOLBHDAC6SMN1; SMN2
SCHEMBL4734462 0.81 HSD17B2 (0.55) HSD17B2KDM4EPOLBHDAC6TSHR
SCHEMBL22283475 0.81 TDP1 (0.57) HSD17B2KDM4EPOLBHDAC6CYP3A4
SCHEMBL7469156 0.80 SMN1; SMN2 (0.55) POLBHDAC6SMN1; SMN2MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
US-6787510-B2 FLEXIBLE SHEET IMPREGNATED WITH FABRIC CONDITIONER THE PROCTER & GAMBLE COMPANY 2004-09-07 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.