SCHEMBL96056

SCHEMBL96056

CC(C)CCCC(C)CCCC(C)CCOc1ccc2c(c1)C(Br)(c1ccccc1)c1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.51
TDP1 Q9NUW8 1/20 0.38
GSTO1 P78417 1/20 0.37

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
SCHEMBL31193486 0.85 PDK2 (0.56) PDK2GSTO1
SCHEMBL95711 0.85 PDK2 (0.56) PDK2GSTO1
SCHEMBL22295266 0.81 PDK2 (0.37) PDK2TDP1GSTO1
SCHEMBL96053 0.74 MAPT (0.49) PDK2TDP1
SCHEMBL4762110 0.72 KCNA3 (0.52) TDP1
SCHEMBL7536898 0.72 KCNA3 (0.52) TDP1
SCHEMBL5999278 0.72 PDK2 (0.38) PDK2TDP1GSTO1
SCHEMBL18837357 0.72 NPC1 (0.55) TDP1GSTO1
SCHEMBL7777147 0.72 PDK2 (0.41) PDK2TDP1GSTO1
SCHEMBL13502291 0.71 TDP1 (0.41) PDK2TDP1GSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2612845-B1 AROMATIC COMPOUND CONTAINING SPECIFIC BRANCH AJINOMOTO KK (JP) 2020-08-05 EP disclosed
EP-2612845-B1 AROMATIC COMPOUND CONTAINING SPECIFIC BRANCH AJINOMOTO KK (JP) 2020-08-05 EP disclosed
US-10711033-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2020-07-14 US disclosed
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-9499579-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2016-11-22 US disclosed
US-9499579-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2016-11-22 US disclosed
US-9499579-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2016-11-22 US disclosed
US-20140005359-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2014-01-02 US disclosed
US-8546534-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-8546534-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-8546534-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
EP-2612845-A1 AROMATIC COMPOUND CONTAINING SPECIFIC BRANCH Ajinomoto Co., Inc. (JP) 2013-07-10 EP disclosed
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO. INC. (JP) 2012-03-08 US disclosed
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO. INC. (JP) 2012-03-08 US disclosed
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO. INC. (JP) 2012-03-08 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 (4 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-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, BCAT2, IAPP PDK2 758/4885TDP1 4323/4885GSTO1 4855/4885
US-10711033-B2 Branched chain-containing aromatic compound VIP, IAPP, BCAT1 PDK2 1569/4885TDP1 4224/4885GSTO1 4884/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 PDK2 1569/4885TDP1 4224/4885GSTO1 4884/4885
US-20140005359-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 PDK2 1569/4885TDP1 4224/4885GSTO1 4884/4885

“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.