SCHEMBL13043322

SCHEMBL13043322

CC(C)=CCC/C(C)=C/Cc1c([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc(C)c1O

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.72
PTGS2 P35354 4/20 0.72
TP53 P04637 1/20 0.72
MDM2 Q00987 1/20 0.72
ELANE P08246 5/20 0.71
ALOX5 P09917 3/20 0.71
PDE4D Q08499 2/20 0.67
CACNA1H O95180 3/20 0.65
SOAT2 O75908 1/20 0.61
CACNA1G O43497 1/20 0.61
ESR1 P03372 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MKNK2 Q9HBH9 1/20 0.60
PLA2G1B P04054 1/20 0.58

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
SCHEMBL13682905 1.00 ACHE (0.72) ACHEPTGS2TP53MDM2ELANE
Nymphaeol C SCHEMBL16105580 0.93 ELANE (0.76) ACHEPTGS2TP53MDM2ELANE
Nymphaeol C SCHEMBL29375168 0.93 ELANE (0.76) ACHEPTGS2TP53MDM2ELANE
Nymphaeol C SCHEMBL7796382 0.93 ELANE (0.76) ACHEPTGS2TP53MDM2ELANE
Nymphaeol C SCHEMBL910203 0.93 ELANE (0.76) ACHEPTGS2TP53MDM2ELANE
SCHEMBL13682902 0.93 ELANE (0.76) ACHEPTGS2TP53MDM2ELANE
Nymphaeol C SCHEMBL16105581 0.93 ELANE (0.76) ACHEPTGS2TP53MDM2ELANE
SCHEMBL12942401 0.91 ELANE (0.73) ACHEPTGS2TP53MDM2ELANE
SCHEMBL13043320 0.90 PDE4D (0.81) ACHEPTGS2TP53MDM2ELANE
SCHEMBL17626656 0.88 ACHE (0.80) ACHEPTGS2TP53MDM2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9457007-B2 Prenylflavanone compounds for modulating diabetes NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2016-10-04 US disclosed
US-9370503-B1 Compounds for treating ocular diseases NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2016-06-21 US disclosed
US-20140296543-A1 PRENYLFLAVANONE COMPOUNDS FOR MODULATING DIABETES NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2014-10-02 US disclosed
US-7829591-B2 Flavanone compound and uses thereof POKKA CORPORATION (JP) 2010-11-09 US 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

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-20140296543-A1 PRENYLFLAVANONE COMPOUNDS FOR MODULATING DIABETES SREBF2, GID4, SREBF1 ACHE 4566/4885PTGS2 559/4885TP53 3763/4885
US-20070161579-A1 FLAVANONE COMPOUND AND USES THEREOF NQO1, GPX4, NDUFV2 ACHE 565/4885PTGS2 2072/4885TP53 1063/4885

“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.