SCHEMBL5197652

SCHEMBL5197652

CCc1c(OC(C)=O)cccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
PTGS2 P35354 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
BACE1 P56817 2/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL7941977 0.89 L3MBTL1 (0.43) ADORA3ADORA2AADORA1KDM4ETDP1
Hydrochloric Acid SCHEMBL27876459 0.84 ELANE (0.40) ADORA3ADORA2AADORA1KDM4ETDP1
SCHEMBL27496747 0.83 PTGS2 (0.50) PTGS2KDM4EHSD17B10TSHRTDP1
SCHEMBL9241750 0.82 SRD5A1 (0.48) ADORA3ADORA2AADORA1PTGS2KDM4E
SCHEMBL27849556 0.81 ADORA3 (0.55) ADORA3ADORA2AADORA1PTGS2KDM4E
SCHEMBL3728321 0.81 KDM4E (0.58) ADORA3ADORA2AADORA1PTGS2KDM4E
SCHEMBL9138778 0.81 KDM4E (0.54) ADORA3ADORA2AADORA1PTGS2KDM4E
Bicarbonate SCHEMBL9330276 0.80 KDM4E (0.56) ADORA3ADORA2AADORA1PTGS2KDM4E
SCHEMBL3792914 0.79 ADORA3 (0.54) ADORA3ADORA2AADORA1PTGS2KDM4E
SCHEMBL8676657 0.79 MAPK1 (0.60) ADORA3ADORA2AADORA1PTGS2KDM4E

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-108350091-A Ether series fiber element derivative particle 东丽株式会社 2018-07-31 CN disclosed
CN-107690330-A The fragrance release composition that persistence continues 莫门蒂夫性能材料股份有限公司 2018-02-13 CN disclosed
US-20140044666-A1 COMPOSITIONS CONTAINING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2014-02-13 US disclosed
US-8546355-B2 Functionally available cyclodextrin combined with compatible and incompatible surfactants; cleaning hard surfaces, carpets, fabrics, hair, skin, dishes; direct use and/or impregnated into wiping material THE PROCTER AND GAMBLE COMPANY (US) 2013-10-01 US disclosed
EP-1282680-B1 COMPOSITIONS COMPRISING CYCLODEXTRIN PROCTER & GAMBLE (US) 2007-09-05 EP disclosed
EP-1212395-B1 IMPROVED METHODS, COMPOSITIONS, AND ARTICLES FOR ODOR CONTROL PROCTER & GAMBLE (US) 2006-05-24 EP disclosed
US-20050148544-A1 Compositions comprising cyclodextrin UCHIYAMA HIROTAKA (US) 2005-07-07 US disclosed
US-6878695-B2 Compositions comprising cyclodextrin derivatives THE PROCTER & GAMBLE COMPANY (US) 2005-04-12 US disclosed
US-6833342-B2 Using mixture containing cyclodextrins THE PROCTER & GAMBLE COMPANY 2004-12-21 US disclosed
US-6785989-B2 Methods and apparatus for removal of wrinkles from fabrics THE PROCTER & GAMBLE COMPANY 2004-09-07 US disclosed
US-20020007055-A1 Compositions comprising cyclodextrin PROCTOR & GAMBLE COMPANY, THE 2002-01-17 US disclosed
US-20020000054-A1 Methods and apparatus for removal of wrinkles from fabrics THE PROCTER & GAMBLE COMPANY 2002-01-03 US disclosed
US-20010056080-A1 Compositions comprising cyclodextrin derivatives PROCTER & GAMBLE COMPANY, THE 2001-12-27 US disclosed
WO-2001088076-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2001-11-22 WO disclosed
WO-2001087360-A2 COMPOSITIONS COMPRISING CYCLODEXTRIN DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2001-11-22 WO disclosed
WO-2001075211-A2 METHODS AND APPARATUS FOR REMOVAL OF WRINKLES FROM FABRICS THE PROCTER & GAMBLE COMPANY (US) 2001-10-11 WO disclosed
EP-1133322-A1 IMPROVED UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL The Procter & Gamble Company (US) 2001-09-19 EP disclosed
WO-2001016266-A2 METHOD OF DEODORIZING AND/OR CLEANING CARPET USING A COMPOSITION COMPRISING ODOR CONTROL AGENT THE PROCTER & GAMBLE COMPANY (US) 2001-03-08 WO disclosed
WO-2001016264-A2 IMPROVED METHODS, COMPOSITIONS, AND ARTICLES FOR ODOR CONTROL THE PROCTER & GAMBLE COMPANY (US) 2001-03-08 WO disclosed
WO-2000030691-A1 IMPROVED UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL THE PROCTER & GAMBLE COMPANY (US) 2000-06-02 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-20050148544-A1 Compositions comprising cyclodextrin DSC1, DSG1, SDCBP ADORA3 1035/4885ADORA2A 507/4885ADORA1 890/4885
US-20010056080-A1 Compositions comprising cyclodextrin derivatives DSC1, DSG1, CAPG ADORA3 1212/4885ADORA2A 491/4885ADORA1 860/4885

“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.