SCHEMBL95509

SCHEMBL95509

COc1ccc(C=O)c(OCc2cc(C)c(C)c(C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HDAC8 Q9BY41 6/20 0.51
TRIM24 O15164 1/20 0.49
TYR P14679 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
TUBB1 Q9H4B7 1/20 0.48
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ERN1 O75460 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL1311076 0.83 HDAC8 (0.65) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL21370452 0.81 NPC1 (0.61) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL5702016 0.80 ALDH1A1 (0.54) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL5290849 0.79 ALDH1A1 (0.56) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL7974085 0.77 MAOB (0.60) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL8447028 0.77 ALDH1A1 (0.71) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL1748666 0.77 ALDH1A1 (0.71) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL13505978 0.77 ALDH1A1 (0.50) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL22090594 0.77 HDAC8 (0.53) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL3209556 0.76 ALDH1A1 (0.69) ALDH1A1HDAC8TRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8546534-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2013-10-01 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 (2 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 ALDH1A1 3695/4885HDAC8 1843/4885TRIM24 181/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 ALDH1A1 3285/4885HDAC8 2436/4885TRIM24 131/4885

“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.