SCHEMBL16488707

SCHEMBL16488707

COc1c2cc(c(O)c1OC)CCC/C=C/CCc1ccc(O)c-2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CETP P11597 1/20 0.31
DRD2 P14416 2/20 0.30
DRD1 P21728 2/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL16488711 1.00 NFKB1 (0.40) NFKB1NFKB2RELACETPDRD2
SCHEMBL16488708 0.88 NFKB1 (0.39) NFKB1NFKB2RELACETP
SCHEMBL15326614 0.88 NFKB1 (0.39) NFKB1NFKB2RELACETP
SCHEMBL18649496 0.87 NFKB1 (0.46) NFKB1NFKB2RELACETPDRD2
SCHEMBL21179904 0.84 NFKB1 (0.36) NFKB1NFKB2RELA
SCHEMBL16489532 0.84 NFKB1 (0.34) NFKB1NFKB2RELA
Myricanone SCHEMBL29904784 0.81 NFKB1 (0.60) NFKB1NFKB2RELACETP
Myricanone SCHEMBL432252 0.81 NFKB1 (0.60) NFKB1NFKB2RELACETP
SCHEMBL21692990 0.81 NFKB1 (0.40) NFKB1NFKB2RELACETPDRD2
SCHEMBL21179905 0.80 NFKB1 (0.33) NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358405-B2 Myricanol derivatives and uses thereof for treatment of neurodegenerative diseases UNIVERSITY OF SOUTH FLORIDA (US) 2019-07-23 US disclosed
US-20190218165-A1 Myricanol Derivatives and Uses Thereof for Treatment of Neurodegenerative Diseases UNIV SOUTH FLORIDA (US) 2019-07-18 US disclosed
US-10287227-B2 Myricanol derivatives and uses thereof for treatment of neurodegenerative diseases UNIVERSITY OF SOUTH FLORIDA (US) 2019-05-14 US disclosed
US-20180037529-A1 Myricanol Derivatives and Uses Thereof for Treatment of Neurodegenerative Diseases THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2018-02-08 US disclosed
US-20180037529-A1 Myricanol Derivatives and Uses Thereof for Treatment of Neurodegenerative Diseases THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2018-02-08 US disclosed
US-9598338-B2 Myricanol derivatives and uses thereof for treatment of neurodegenerative diseases UNIVERSITY OF SOUTH FLORIDA (US) 2017-03-21 US disclosed
US-9598338-B2 Myricanol derivatives and uses thereof for treatment of neurodegenerative diseases UNIVERSITY OF SOUTH FLORIDA (US) 2017-03-21 US disclosed
US-20150051294-A1 Myricanol Derivatives and Uses Thereof for Treatment of Neurodegenerative Diseases UNIVERSTIY OF SOUTH FLORIDA (US) 2015-02-19 US disclosed
US-20150051294-A1 Myricanol Derivatives and Uses Thereof for Treatment of Neurodegenerative Diseases UNIVERSTIY OF SOUTH FLORIDA (US) 2015-02-19 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 (5 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-20150051294-A1 Myricanol Derivatives and Uses Thereof for Treatment of Neurodegenerative Diseases MAPT, APP, PSEN2 NFKB1 4111/4885NFKB2 4268/4885RELA 4321/4885
US-10358405-B2 Myricanol derivatives and uses thereof for treatment of neurodegenerative diseases MAPT, APP, PSEN2 NFKB1 4111/4885NFKB2 4268/4885RELA 4321/4885
US-20180037529-A1 Myricanol Derivatives and Uses Thereof for Treatment of Neurodegenerative Diseases MAPT, APP, PSEN2 NFKB1 4111/4885NFKB2 4268/4885RELA 4321/4885
US-20190218165-A1 Myricanol Derivatives and Uses Thereof for Treatment of Neurodegenerative Diseases MAPT, APP, PSEN1 NFKB1 3731/4885NFKB2 3984/4885RELA 4182/4885
US-10287227-B2 Myricanol derivatives and uses thereof for treatment of neurodegenerative diseases MAPT, APP, PSEN2 NFKB1 4111/4885NFKB2 4268/4885RELA 4321/4885

“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.