SCHEMBL95533

SCHEMBL95533

CC(C)CCCC(C)CCCC(C)CCOc1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
FDPS P14324 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.46
RARB P10826 1/20 0.44
EPHX2 P34913 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
GGPS1 O95749 1/20 0.42
LMNA P02545 2/20 0.39
GPR88 Q9GZN0 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
GSTO1 P78417 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL22282481 1.00 ALOX5 (0.53) ALOX5FDPSTDP1MAPK1RARB
SCHEMBL19775879 0.89 TDP1 (0.50) TDP1MAPK1RARBEPHX2HRH3
SCHEMBL16340342 0.88 TDP1 (0.58) ALOX5FDPSTDP1MAPK1RARB
SCHEMBL6857008 0.88 TDP1 (0.58) ALOX5FDPSTDP1MAPK1RARB
SCHEMBL9820054 0.87 TDP1 (0.61) TDP1MAPK1RARBEPHX2HRH3
SCHEMBL13959557 0.86 ALOX5 (0.51) ALOX5FDPSTDP1MAPK1RARB
SCHEMBL7526851 0.85 ALOX5 (0.44) ALOX5FDPSTDP1MAPK1RARB
SCHEMBL22282469 0.84 FDPS (0.43) ALOX5FDPSTDP1MAPK1RARB
SCHEMBL19549615 0.84 ALOX5 (0.53) ALOX5FDPSTDP1MAPK1RARB
SCHEMBL22282464 0.84 TDP1 (0.50) ALOX5FDPSTDP1MAPK1RARB

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 44 patents — showing the first 20. 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 claimed
US-10711033-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2020-07-14 US claimed
EP-2612845-A1 AROMATIC COMPOUND CONTAINING SPECIFIC BRANCH Ajinomoto Co., Inc. (JP) 2013-07-10 EP claimed
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO. INC. (JP) 2012-03-08 US claimed
US-12351601-B2 Method for producing peptide continuously AJINOMOTO CO., INC. (JP) 2025-07-08 US disclosed
CN-113039193-B Method for producing cyclized peptide having intramolecular S-S bond 味之素株式会社 2024-11-12 CN disclosed
US-11939404-B2 Method for producing cyclized peptide having intramolecular S-S bond AJINOMOTO CO., INC. (JP) 2024-03-26 US disclosed
EP-3296306-B1 BASE-PROTECTED OLIGONUCLEOTIDE AJINOMOTO KK (JP) 2022-11-09 EP disclosed
US-20220041648-A1 METHOD FOR PRODUCING PEPTIDE CONTINUOUSLY AJINOMOTO CO., INC. (JP) 2022-02-10 US disclosed
EP-3882255-A1 METHOD FOR PRODUCING CYCLIZED PEPTIDE HAVING INTRAMOLECULAR S-S BOND AJINOMOTO CO., INC. (JP) 2021-09-22 EP disclosed
US-20210277063-A1 METHOD FOR PRODUCING CYCLIZED PEPTIDE HAVING INTRAMOLECULAR S-S BOND AJINOMOTO CO., INC. (JP) 2021-09-09 US disclosed
EP-2816053-B1 BASE-PROTECTED OLIGONUCLEOTIDE AJINOMOTO KK (JP) 2021-03-24 EP 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 (6 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-20220041648-A1 METHOD FOR PRODUCING PEPTIDE CONTINUOUSLY VIP, NPPA, NGLY1 ALOX5 905/4885FDPS 1598/4885TDP1 4190/4885
US-11939404-B2 Method for producing cyclized peptide having intramolecular S-S bond SPPL2B, PTMS, VIP ALOX5 3937/4885FDPS 805/4885TDP1 3529/4885
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, BCAT2, IAPP ALOX5 3864/4885FDPS 651/4885TDP1 4323/4885
US-10711033-B2 Branched chain-containing aromatic compound VIP, IAPP, BCAT1 ALOX5 4016/4885FDPS 675/4885TDP1 4224/4885
US-12351601-B2 Method for producing peptide continuously VIP, NPPA, NGLY1 ALOX5 905/4885FDPS 1598/4885TDP1 4190/4885
US-20210277063-A1 METHOD FOR PRODUCING CYCLIZED PEPTIDE HAVING INTRAMOLECULAR S-S BOND SPPL2B, PTMS, VIP ALOX5 3937/4885FDPS 805/4885TDP1 3529/4885

“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.