SCHEMBL1606314

SCHEMBL1606314

CCOC(=O)C(C)(C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MITF O75030 1/20 0.41
HPGD P15428 1/20 0.41
MC4R P32245 1/20 0.41
FBP1 P09467 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7035586 0.78 THRB (0.52) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL142930 0.78 THRB (0.44) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL4766000 0.77 NPSR1 (0.57) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL11152796 0.77 NPSR1 (0.46) KMT2AMAPTNPSR1ALDH1A1FBP1
SCHEMBL1557729 0.77 ALDH1A1 (0.47) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL11278337 0.76 AR (0.48) TSHRMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL28537382 0.75 THRB (0.42) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL1557733 0.75 ALDH1A1 (0.45) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL1557731 0.75 ALDH1A1 (0.45) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL7035878 0.74 ALDH1A1 (0.52) MEN1KMT2AMAPTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082209-A1 Novel Salts of (4--2-Methylphenyl)Carbonyl]Amino}-3-Methylphenyl)Acetic Acid GLAXO GROUP LIMITED (GB) 2011-04-07 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 (1 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-20110082209-A1 Novel Salts of (4--2-Methylphenyl)Carbonyl]Amino}-3-Methylphenyl)Acetic Acid ACMSD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ACACA TSHR 4612/4885MEN1 2133/4885KMT2A 915/4885

“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.