SCHEMBL17626656

SCHEMBL17626656

CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1O)O2

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.80
PTGS2 P35354 4/20 0.80
TP53 P04637 1/20 0.80
MDM2 Q00987 1/20 0.80
PDE4D Q08499 3/20 0.75
ELANE P08246 5/20 0.73
ALOX5 P09917 3/20 0.73
CACNA1H O95180 3/20 0.67
CACNA1G O43497 1/20 0.66
ESR1 P03372 1/20 0.66
MAPT P10636 1/20 0.66
MAPK1 P28482 1/20 0.66
KMT2A Q03164 1/20 0.66
ATM Q13315 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
BCHE P06276 1/20 0.64
SOAT2 O75908 1/20 0.64
IDO1 P14902 1/20 0.64

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
SCHEMBL17626653 1.00 ACHE (0.80) ACHEPTGS2TP53MDM2PDE4D
Cudraflavanone B SCHEMBL23140484 0.92 CACNA1H (0.79) ACHEPTGS2TP53MDM2PDE4D
Nymphaeol C SCHEMBL16105580 0.89 ELANE (0.76) ACHEPTGS2TP53MDM2PDE4D
SCHEMBL13682902 0.89 ELANE (0.76) ACHEPTGS2TP53MDM2PDE4D
Nymphaeol C SCHEMBL16105581 0.89 ELANE (0.76) ACHEPTGS2TP53MDM2PDE4D
Nymphaeol C SCHEMBL910203 0.89 ELANE (0.76) ACHEPTGS2TP53MDM2PDE4D
Nymphaeol C SCHEMBL7796382 0.89 ELANE (0.76) ACHEPTGS2TP53MDM2PDE4D
Nymphaeol C SCHEMBL29375168 0.89 ELANE (0.76) ACHEPTGS2TP53MDM2PDE4D
Bonannione A SCHEMBL16105830 0.89 ACHE (1.00) ACHEPTGS2TP53MDM2PDE4D
Bonannione A SCHEMBL140804 0.89 ACHE (1.00) ACHEPTGS2TP53MDM2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633358-B2 T-type calcium channel inhibitor KINKI UNIVERSITY (JP) 2020-04-28 US disclosed
US-20180065947-A1 T-TYPE CALCIUM CHANNEL INHIBITOR UNIV KINKI (JP) 2018-03-08 US disclosed
US-20160096815-A1 T-TYPE CALCIUM CHANNEL INHIBITOR KINKI UNIVERSITY (JP) 2016-04-07 US disclosed
EP-3000465-A1 T-TYPE CALCIUM CHANNEL INHIBITOR Kinki University (JP) 2016-03-30 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 (3 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-20160096815-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1G, CACNA1H, CACNA1I ACHE 1618/4885PTGS2 1567/4885TP53 3382/4885
US-20180065947-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1G, CACNA1H, CACNA1I ACHE 1582/4885PTGS2 1520/4885TP53 3340/4885
US-10633358-B2 T-type calcium channel inhibitor CACNA1G, CACNA1H, CACNA1I ACHE 1582/4885PTGS2 1520/4885TP53 3340/4885

“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.