SCHEMBL4403939

SCHEMBL4403939

N#Cc1ccc(Oc2ccc(/C=C3\SC(=O)N(CCN4CCCCC4)C3=O)cc2O)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 7/20 0.49
ESRRB O95718 1/20 0.49
ESR1 P03372 1/20 0.49
ESRRG P62508 1/20 0.49
ESR2 Q92731 1/20 0.49
SLC2A1 P11166 2/20 0.44
VHL P40337 1/20 0.39
BAG3 O95817 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
IKBKB O14920 1/20 0.38
PDE4B Q07343 1/20 0.37

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
SCHEMBL4405009 1.00 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4404915 0.93 ESRRA (0.48) ESRRAESRRBESR1ESRRGESR2
SCHEMBL647234 0.91 ESRRA (0.50) ESRRAESRRBESR1ESRRGESR2
SCHEMBL647235 0.91 ESRRA (0.50) ESRRAESRRBESR1ESRRGESR2
SCHEMBL651256 0.90 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648909 0.90 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648910 0.90 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650091 0.90 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648125 0.89 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648126 0.89 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2

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-20120108571-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS GAUL MICHAEL (US) 2012-05-03 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-20120108571-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885ESRRB 4/4885ESR1 7/4885

“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.