SCHEMBL4887669

SCHEMBL4887669

Fc1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.79
ESR2 Q92731 4/20 0.79
MAPK14 Q16539 4/20 0.77
PTGS2 P35354 7/20 0.68
EIF2AK2 P19525 1/20 0.53
EGFR P00533 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51

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
SCHEMBL7042862 0.96 MAPK14 (0.81) ESR1ESR2MAPK14PTGS2KDM4E
SCHEMBL22649305 0.89 ESR1 (0.92) ESR1ESR2MAPK14PTGS2EGFR
SCHEMBL13461181 0.89 ESR1 (0.92) ESR1ESR2MAPK14PTGS2EGFR
SCHEMBL29799621 0.89 ESR1 (1.00) ESR1ESR2MAPK14PTGS2EGFR
SCHEMBL3864662 0.89 ESR1 (1.00) ESR1ESR2MAPK14PTGS2EGFR
SCHEMBL17883133 0.88 MAPK14 (0.70) ESR1ESR2MAPK14PTGS2MAPK13
SCHEMBL6646016 0.87 MAPK14 (1.00) ESR1ESR2MAPK14PTGS2MAPK13
SCHEMBL6646025 0.87 MAPK14 (1.00) ESR1ESR2MAPK14PTGS2MAPK13
Carbazole SCHEMBL28000316 0.85 ESR1 (0.92) ESR1ESR2MAPK14PTGS2EGFR
SCHEMBL7040942 0.84 PTGS2 (0.72) ESR1ESR2MAPK14PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN ESR1 3078/4885ESR2 3149/4885MAPK14 3682/4885

“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.