SCHEMBL12413817

SCHEMBL12413817

Cc1noc(C)c1-c1c(C=N)c2cc(F)c(F)cc2n1-c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.38
BRD4 O60885 8/20 0.35
PIK3CD O00329 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
NSD3 Q9BZ95 1/20 0.31
CREBBP Q92793 1/20 0.30

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
SCHEMBL2146602 0.90 ERN1 (0.45) ERN1BRD4PIK3CDPTGDR2ESR1
SCHEMBL2146304 0.88 ERN1 (0.36) ERN1BRD4PIK3CDPTGDR2ESR1
SCHEMBL2146302 0.88 ERN1 (0.36) ERN1BRD4PIK3CDPTGDR2ESR1
SCHEMBL13460258 0.84 BRD4 (0.37) ERN1BRD4PIK3CDPTGDR2ESR1
SCHEMBL13460253 0.84 ESR1 (0.40) ERN1BRD4ESR1ESR2LMNA
SCHEMBL2146813 0.81 BRD4 (0.36) ERN1BRD4PIK3CDPTGDR2ESR1
SCHEMBL2285069 0.80 ERN1 (0.43) ERN1BRD4PIK3CDPTGDR2NSD3
SCHEMBL2146838 0.79 PTGDR2 (0.39) ERN1BRD4PIK3CDPTGDR2LMNA
SCHEMBL2146833 0.79 PTGDR2 (0.39) ERN1BRD4PIK3CDPTGDR2LMNA
SCHEMBL2146543 0.77 PIK3CD (0.37) ERN1BRD4PIK3CDPTGDR2LMNA

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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 ERN1 384/4885BRD4 891/4885PIK3CD 4139/4885

“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.