SCHEMBL5549070

SCHEMBL5549070

CCCOc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)cc(C#N)c2OC)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
PPARA Q07869 8/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5552725 0.89 PPARA (0.39) ALDH1A1MAPTTP53PPARAPPARG
SCHEMBL5554935 0.88 ALDH1A1 (0.36) ACACBALDH1A1MAPTTP53PPARA
SCHEMBL5553504 0.88 CTSL (0.40) ALDH1A1MAPTTP53PPARAPPARG
SCHEMBL6507629 0.84 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6504955 0.82 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL5554867 0.82 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL6502816 0.81 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL5554915 0.81 PPARA (0.39) ALDH1A1MAPTTP53PPARAPPARG
SCHEMBL5553542 0.80 PPARG (0.40) ALDH1A1MAPTTP53PPARAPPARG
SCHEMBL5553496 0.80 PPARA (0.38) ALDH1A1MAPTTP53PPARAPPARG

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-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 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-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 ACACB 2230/4885ALDH1A1 1736/4885MAPT 4358/4885

“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.