SCHEMBL95504

SCHEMBL95504

Cc1ccc(Cl)c(C(O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 1/20 0.45
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 7/20 0.40
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 6/20 0.40
HTT P42858 2/20 0.40
KCNH2 Q12809 5/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
KCNE1 P15382 1/20 0.39
CHRM3 P20309 1/20 0.39
PTGS1 P23219 1/20 0.39
HRH2 P25021 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
SCHEMBL14509733 0.81 HTT (0.49) MLKLMAPTMEN1CYP2C9KMT2A
SCHEMBL9771548 0.80 MEN1 (0.46) MAPTMEN1KMT2ASLC6A4KCNH2
SCHEMBL8498311 0.80 CHRM1 (0.54) MLKLMAPTMEN1CYP2C9KMT2A
SCHEMBL30442826 0.80 CHRM1 (0.54) MLKLMAPTMEN1CYP2C9KMT2A
SCHEMBL96016 0.80 S1PR2 (0.38) MAPTMEN1KMT2ASLC6A4HTT
SCHEMBL23428881 0.79 MLKL (0.45) MLKLMAPTMEN1CYP2C9KMT2A
SCHEMBL95773 0.79 IDO1 (0.40) MAPTMEN1KMT2ASLC6A4KCNH2
SCHEMBL4273855 0.78 MLKL (0.47) MLKLMAPTMEN1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL17871862 0.77 IDO1 (0.41) MAPTMEN1KMT2ASLC6A4KCNH2
SCHEMBL23428912 0.77 ACP3 (0.42) MAPTMEN1CYP2C9KMT2ASLC6A4

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 7 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-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-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-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 (3 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 MLKL 668/4885MAPT 892/4885MEN1 2743/4885
US-20150080565-A1 OLIGONUCLEOTIDE WITH PROTECTED BASE POLRMT, POLN, RNGTT MLKL 3578/4885MAPT 2765/4885MEN1 3770/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 MLKL 1618/4885MAPT 715/4885MEN1 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.