SCHEMBL633474

SCHEMBL633474

COc1c(C=CC(=O)c2ccccc2)cc(O)c(O)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
TYR P14679 1/20 0.57
LMNA P02545 1/20 0.57
NLRP3 Q96P20 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.52
MAOB P27338 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
TNFRSF1A P19438 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL28557188 0.92 BCHE (0.57) BCHENPC1MAPTRAB9ATYR
SCHEMBL28701659 0.92 BCHE (0.57) BCHENPC1MAPTRAB9ATYR
SCHEMBL20608556 0.89 BCHE (0.57) BCHENPC1MAPTRAB9ATYR
SCHEMBL28126221 0.88 NPC1 (0.63) BCHENPC1MAPTRAB9ATYR
SCHEMBL20608568 0.84 NPC1 (0.58) BCHENPC1MAPTRAB9ATYR
SCHEMBL27391384 0.83 ABCG2 (0.62) BCHENPC1MAPTRAB9ATYR
SCHEMBL5313684 0.82 NPC1 (0.63) BCHENPC1MAPTRAB9ATYR
SCHEMBL27762381 0.82 NPC1 (0.63) BCHENPC1MAPTRAB9ATYR
SCHEMBL27767847 0.82 NPC1 (0.56) BCHENPC1MAPTRAB9ATYR
SCHEMBL19182853 0.82 NPC1 (0.58) BCHENPC1MAPTRAB9ATYR

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-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 US disclosed
EP-1888174-B1 USE OF CHALCONES FOR THE TREATMENT OF VIRAL DISORDERS JOHNSON & JOHNSON CONSUMER (US) 2012-02-22 EP disclosed
CN-101448551-A Use of chalcones for the treatment of viral disorders JOHNSON & JOHNSON CONSUMER (US) 2009-06-03 CN disclosed
EP-1888174-A1 USE OF CHALCONES FOR THE TREATMENT OF VIRAL DISORDERS Johnson and Johnson Consumer Companies, Inc. (US) 2008-02-20 EP disclosed
WO-2006127539-A1 USE OF CHALCONES FOR THE TREATMENT OF VIRAL DISORDERS JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-30 WO disclosed
US-20060270614-A1 Use of chalcones for the treatment of viral disorders JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2006-11-30 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-20060270614-A1 Use of chalcones for the treatment of viral disorders HAVCR2, HMGB3, EIF2AK2 BCHE 2524/4885NPC1 324/4885MAPT 788/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 BCHE 948/4885NPC1 4155/4885MAPT 4210/4885

“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.