SCHEMBL22283277

SCHEMBL22283277

COc1cccc(C=CC(=O)c2c(O)c(OC)c(OC)c(OC)c2OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.70
ABCG2 Q9UNQ0 5/20 0.64
NR1H4 Q96RI1 3/20 0.63
MAOB P27338 3/20 0.61
BCHE P06276 1/20 0.61
MAOA P21397 2/20 0.61
ABCB1 P08183 1/20 0.59
NQO1 P15559 2/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2D6 P10635 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CYP1A1 P04798 2/20 0.57
CYP1B1 Q16678 2/20 0.57
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 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
SCHEMBL22283275 1.00 KCNA3 (0.70) KCNA3ABCG2NR1H4MAOBBCHE
SCHEMBL29906111 0.85 ABCB1 (0.72) KCNA3MAOBMAOAABCB1CYP3A4
SCHEMBL6845894 0.85 ABCB1 (0.72) KCNA3MAOBMAOAABCB1CYP3A4
SCHEMBL29929521 0.85 ABCB1 (0.72) KCNA3MAOBMAOAABCB1CYP3A4
SCHEMBL25194422 0.84 ABCG2 (0.79) KCNA3ABCG2NR1H4MAOBBCHE
SCHEMBL30382949 0.84 ABCG2 (0.79) KCNA3ABCG2NR1H4MAOBBCHE
SCHEMBL29225587 0.83 SLC5A1 (0.68) ABCG2MAOBBCHEMAOAABCB1
SCHEMBL5441725 0.83 SLC5A1 (0.68) ABCG2MAOBBCHEMAOAABCB1
SCHEMBL25194265 0.83 MAOB (0.75) ABCG2NR1H4MAOBBCHEMAOA
SCHEMBL20472672 0.82 ABCG2 (0.85) ABCG2NR1H4MAOBBCHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11559512-B2 Composition for prevention, alleviation, and/or treatment of heat illness TOYO UNIVERSITY (JP) 2023-01-24 US disclosed
US-20200297694-A1 COMPOSITION FOR PREVENTION, ALLEVIATION, AND/OR TREATMENT OF HEAT ILLNESS TOYO UNIVERSITY (JP) 2020-09-24 US disclosed
EP-3689345-A1 COMPOSITION FOR PREVENTION, ALLEVIATION, AND/OR TREATMENT OF HEAT STROKE Toyo University (JP) 2020-08-05 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-11559512-B2 Composition for prevention, alleviation, and/or treatment of heat illness TNF, HSF1, HSP90AA1 KCNA3 2497/4885ABCG2 2617/4885NR1H4 327/4885
US-20200297694-A1 COMPOSITION FOR PREVENTION, ALLEVIATION, AND/OR TREATMENT OF HEAT ILLNESS TNF, HSF1, HSP90AA1 KCNA3 2497/4885ABCG2 2617/4885NR1H4 327/4885

“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.