SCHEMBL134251

SCHEMBL134251

COc1ccc(C=O)c([O])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
TRIM24 O15164 1/20 0.63
TYR P14679 1/20 0.63
TRIM33 Q9UPN9 1/20 0.63
ERN1 O75460 3/20 0.58
CYP1A2 P05177 7/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A1 P04798 5/20 0.48
CYP1B1 Q16678 5/20 0.48
CYP2A6 P11509 1/20 0.48
LMNA P02545 2/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFE2L2 Q16236 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
NQO2 P16083 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
SCHEMBL12672585 0.83 ALDH1A1 (0.70) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL29957021 0.83 ALDH1A1 (0.70) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL1236491 0.79 ALDH1A1 (0.66) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL437463 0.79 ALDH1A1 (0.66) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL135243 0.79 ALDH1A1 (0.66) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL29954936 0.79 ALDH1A1 (0.66) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL96291 0.79 ALDH1A1 (1.00) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL18535520 0.79 ALDH1A1 (0.66) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL16381877 0.79 ALDH1A1 (0.76) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL133876 0.78 TYR (1.00) ALDH1A1TRIM24TYRTRIM33ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US claimed
CN-107011132-B Aromatic compound containing branched chain 味之素株式会社 2020-11-10 CN disclosed
CN-107011131-B Aromatic compound containing branched chain 味之素株式会社 2020-11-10 CN 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
CN-106220482-B Aromatic compound containing branched chain 味之素株式会社 2020-01-07 CN 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-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
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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 ALDH1A1 3130/4885TRIM24 4131/4885TYR 751/4885
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, BCAT2, IAPP ALDH1A1 3695/4885TRIM24 181/4885TYR 167/4885
US-10711033-B2 Branched chain-containing aromatic compound VIP, IAPP, BCAT1 ALDH1A1 3285/4885TRIM24 131/4885TYR 114/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 ALDH1A1 3285/4885TRIM24 131/4885TYR 114/4885
US-20140005359-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 ALDH1A1 3285/4885TRIM24 131/4885TYR 114/4885

“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.