SCHEMBL909991

SCHEMBL909991

CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)O[C@@H](c1ccc(O)c(O)c1)CC2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.75
ACHE P22303 4/20 0.75
PTGS2 P35354 4/20 0.75
ALOX5 P09917 3/20 0.75
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
MITF O75030 1/20 0.66
ALPL P05186 1/20 0.66
POLB P06746 1/20 0.66
ALPI P09923 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
ALPG P10696 1/20 0.66
PKM P14618 1/20 0.66
KMT2A Q03164 1/20 0.66
ABCG2 Q9UNQ0 2/20 0.65
TP53 P04637 1/20 0.63
MDM2 Q00987 1/20 0.63
PTPN1 P18031 1/20 0.56
CYP1A1 P04798 1/20 0.56

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
SCHEMBL3238481 0.99 ELANE (0.74) ELANEACHEPTGS2ALOX5KDM4E
SCHEMBL3231721 0.91 ABCG2 (0.78) ELANEACHEPTGS2ALOX5MEN1
SCHEMBL3245112 0.88 ABCG2 (0.76) ELANEACHEPTGS2ALOX5ABCG2
Nymphaeol A SCHEMBL16105856 0.86 ELANE (1.00) ELANEACHEPTGS2ALOX5MAPT
Nymphaeol A SCHEMBL30532526 0.86 ELANE (1.00) ELANEACHEPTGS2ALOX5MAPT
Nymphaeol A SCHEMBL909988 0.86 ELANE (1.00) ELANEACHEPTGS2ALOX5MAPT
Nymphaeol A SCHEMBL909992 0.86 ELANE (1.00) ELANEACHEPTGS2ALOX5MAPT
Nymphaeol A SCHEMBL30637584 0.86 ELANE (1.00) ELANEACHEPTGS2ALOX5MAPT
Nymphaeol A SCHEMBL7795014 0.86 ELANE (1.00) ELANEACHEPTGS2ALOX5MAPT
SCHEMBL16105743 0.85 ELANE (0.98) ELANEACHEPTGS2ALOX5MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101883574-B Periodontal bacterial growth inhibitor, oral hygiene product, and food and drink POKKA CORP 2013-06-26 CN claimed
CN-101883574-B Periodontal bacterial growth inhibitor, oral hygiene product, and food and drink POKKA CORP 2013-06-26 CN disclosed
US-20130122121-A1 METHOD OF USE OF AN ANTI-METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS AGENT AND AN ANTI-VANCOMYCIN-RESISTANT ENTEROCOCCUS AGENT POKKA CORPORATION (JP) 2013-05-16 US disclosed
US-20130115175-A1 Periodontal Bacterial Growth Inhibitor, Oral Hygiene Product, and Food and Drink POKKA CORPORATION (JP) 2013-05-09 US disclosed
EP-1640371-B1 FLAVANONE COMPOUND AND USES THEREOF POKKA CORP (JP) 2011-10-19 EP disclosed
US-20110015411-A1 INHIBITOR FOR GROWTH OF BACTERIA OF GENUS LEGIONELLA, BATH AGENT AND CLEANING AGENT POKKA CORPORATION (JP) 2011-01-20 US disclosed
US-20110008472-A1 ANTI-METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS AGENT AND ANTI-VANCOMYCIN-RESISTANT ENTEROCOCCUS AGENT POKKA CORPORATION (JP) 2011-01-13 US disclosed
EP-2255624-A1 INHIBITOR FOR GROWTH OF BACTERIA OF GENUS LEGIONELLA, BATH AGENT AND CLEANING AGENT POKKA CORPORATION (JP) 2010-12-01 EP disclosed
EP-2251023-A1 ANTI-METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS AGENT AND ANTI-VANCOMYCIN-RESISTANT ENTEROCOCCUS AGENT POKKA CORPORATION (JP) 2010-11-17 EP disclosed
US-7829591-B2 Flavanone compound and uses thereof POKKA CORPORATION (JP) 2010-11-09 US disclosed
US-20100247455-A1 Periodontal Bacterial Growth Inhibitor, Oral Hygiene Product, and Food and Drink POKKA CORPORATION (JP) 2010-09-30 US disclosed
EP-2216037-A1 PERIODONTAL BACTERIAL GROWTH INHIBITOR, ORAL HYGIENE PRODUCT, AND FOOD AND DRINK POKKA CORPORATION (JP) 2010-08-11 EP disclosed
EP-2186806-A1 Flavanone compound and uses thereof POKKA CORPORATION (JP) 2010-05-19 EP disclosed
US-7256214-B2 5,7,3',4'-Tetrahydroxy-5'-C-geranylflavanone (isonymphaeol-B), isolated from an Okinawa propolis; microbiocide, antitumor agent, food, beverage and cosmetic preservative; antioxidant food supplement POKKA CORPORATION (JP) 2007-08-14 US disclosed
US-20070161579-A1 FLAVANONE COMPOUND AND USES THEREOF POKKA CORPORATION (JP) 2007-07-12 US disclosed
US-20060292204-A1 Flavanone compound and uses thereof POKKA CORPORATION (JP) 2006-12-28 US disclosed
EP-1640371-A1 FLAVANONE COMPOUND AND USES THEREOF POKKA CORPORATION (JP) 2006-03-29 EP 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-20070161579-A1 FLAVANONE COMPOUND AND USES THEREOF NQO1, GPX4, NDUFV2 ELANE 501/4885ACHE 565/4885PTGS2 2072/4885
US-20060292204-A1 Flavanone compound and uses thereof NQO1, GPX4, NDUFV2 ELANE 501/4885ACHE 565/4885PTGS2 2072/4885

“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.