SCHEMBL22283276

SCHEMBL22283276

COc1cccc(C2Oc3c(c(OC)c(OC)c(OC)c3OC)CC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP19A1 P11511 2/20 0.42
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39

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
SCHEMBL28085134 0.81 CDK1 (0.45) LMNARAB9A
SCHEMBL11252782 0.74 LMNA (0.53) LMNACYP19A1MEN1CYP3A4CYP2D6
SCHEMBL29020379 0.74 ALDH1A1 (0.49) LMNACYP19A1MEN1CYP3A4CYP2D6
SCHEMBL28879340 0.73 ABCG2 (0.42) LMNACYP19A1MEN1CYP3A4KMT2A
SCHEMBL17503283 0.72 NPC1 (0.45) CYP19A1MEN1CYP3A4KMT2ANPC1
SCHEMBL4129050 0.72 CDK1 (0.47) LMNACYP3A4KDM4EALDH1A1
SCHEMBL29204371 0.71 CYP19A1 (0.42) CYP19A1MEN1KMT2AKDM4ENPC1
SCHEMBL28513252 0.71 CYP19A1 (0.46) CYP19A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28840935 0.71 CYP19A1 (0.46) CYP19A1MEN1KMT2AKDM4ENPC1
SCHEMBL22283272 0.70 LMNA (0.54) LMNACYP19A1MEN1CYP3A4KMT2A

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 LMNA 2092/4885CYP19A1 1409/4885MEN1 3508/4885
US-20200297694-A1 COMPOSITION FOR PREVENTION, ALLEVIATION, AND/OR TREATMENT OF HEAT ILLNESS TNF, HSF1, HSP90AA1 LMNA 2092/4885CYP19A1 1409/4885MEN1 3508/4885

“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.