SCHEMBL95700

SCHEMBL95700

CC(CCC(C(=O)Nc1ccc(CO)cc1)C(C)CC(C)(C)C)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ADCY6 O43306 1/20 0.36
ADCY3 O60266 1/20 0.36
ADCY9 O60503 1/20 0.36
ADCY5 O95622 1/20 0.36
ADCY8 P40145 1/20 0.36
GCGR P47871 1/20 0.36
ADCY7 P51828 1/20 0.36
ADCY2 Q08462 1/20 0.36
ADCY1 Q08828 1/20 0.36
ADCY4 Q8NFM4 1/20 0.36
KLK7 P49862 1/20 0.36
MAPT P10636 2/20 0.35
SPHK1 Q9NYA1 8/20 0.35
GAA P10253 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL12136705 0.77 ALDH1A1 (0.46) KLK7MAPTGAAKMT2AHTT
SCHEMBL12050118 0.76 MMP1 (0.33)
SCHEMBL12872770 0.74 ALDH1A1 (0.30) MAPT
SCHEMBL12050137 0.72 MMP1 (0.30)
SCHEMBL23235604 0.72 BIRC2 (0.39) MAPTGAA
SCHEMBL23169899 0.71 CYP1A2 (0.48) MAPTKMT2A
SCHEMBL8952281 0.71 KMT2A (0.58) CA1CA2MAPTSPHK1GAA
SCHEMBL15401729 0.69
SCHEMBL2635470 0.69 KMT2A (0.45) KLK7MAPTSPHK1GAACRHBP
SCHEMBL17823130 0.69 TAAR1 (0.60) CA1CA2MAPTSPHK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9371353-B2 Oligonucleotide with protected base AJINOMOTO CO., INC. (JP) 2016-06-21 US disclosed
US-9371353-B2 Oligonucleotide with protected base AJINOMOTO CO., INC. (JP) 2016-06-21 US disclosed
US-20150080565-A1 OLIGONUCLEOTIDE WITH PROTECTED BASE AJINOMOTO CO., INC. (JP) 2015-03-19 US disclosed
US-20150080565-A1 OLIGONUCLEOTIDE WITH PROTECTED BASE AJINOMOTO CO., INC. (JP) 2015-03-19 US disclosed
US-8846885-B2 Oligonucleotide with protected base AJINOMOTO CO., INC. (JP) 2014-09-30 US disclosed
US-8846885-B2 Oligonucleotide with protected base AJINOMOTO CO., INC. (JP) 2014-09-30 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

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 CA1 2366/4885CA2 2890/4885CA7 1766/4885
US-10711033-B2 Branched chain-containing aromatic compound VIP, IAPP, BCAT1 CA1 2701/4885CA2 2776/4885CA7 1697/4885
US-20150080565-A1 OLIGONUCLEOTIDE WITH PROTECTED BASE POLRMT, POLN, RNGTT CA1 4140/4885CA2 3807/4885CA7 2254/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 CA1 2701/4885CA2 2776/4885CA7 1697/4885

“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.