SCHEMBL96053

SCHEMBL96053

CC(C)CCCC(C)CCCC(C)CCOc1ccc2c(c1)C(=O)c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRNA7 P36544 1/20 0.47
POLB P06746 1/20 0.46
DNMT1 P26358 1/20 0.46
RAD52 P43351 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PDK2 Q15119 1/20 0.44
ALOX5 P09917 1/20 0.43
PTPN1 P18031 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL14288507 0.80 MAPT (0.72) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL18837357 0.79 NPC1 (0.55) MAPTNPC1ALDH1A1RAB9ATDP1
SCHEMBL18015983 0.78 MAPT (0.69) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL13502291 0.78 TDP1 (0.41) MAPTKMT2ATDP1PDK2ALOX5
SCHEMBL6857008 0.78 TDP1 (0.58) MAPTKMT2AGAATDP1ALOX5
SCHEMBL16340342 0.78 TDP1 (0.58) MAPTKMT2AGAATDP1ALOX5
SCHEMBL7536898 0.77 KCNA3 (0.52) TDP1ALOX5
SCHEMBL4762110 0.77 KCNA3 (0.52) TDP1ALOX5
SCHEMBL538615 0.76 MAPT (0.67) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL13502293 0.76 TDP1 (0.45) NPC1RAB9ATDP1PDK2ALOX5

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 18 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
US-10711033-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2020-07-14 US 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
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 MAPT 892/4885KMT2A 4605/4885MEN1 2743/4885
US-10711033-B2 Branched chain-containing aromatic compound VIP, IAPP, BCAT1 MAPT 715/4885KMT2A 4327/4885MEN1 2297/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 MAPT 715/4885KMT2A 4327/4885MEN1 2297/4885
US-20140005359-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 MAPT 715/4885KMT2A 4327/4885MEN1 2297/4885

“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.