SCHEMBL7040419

SCHEMBL7040419

COc1ccc(-c2[nH]c3ccc(Br)cc3c2-c2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
ESR2 Q92731 4/20 0.51
ESR1 P03372 3/20 0.51
PTGS1 P23219 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
RAF1 P04049 1/20 0.44
DYRK1A Q13627 1/20 0.44
MAP2 P11137 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL7038845 0.89 ESR1 (0.63) PTGS2ESR2ESR1MAPTKDM4E
SCHEMBL7038834 0.85 MAP2 (0.61) PTGS2ESR2ESR1PTGS1NOX1
SCHEMBL7038639 0.85 MAP2 (0.61) PTGS2ESR2ESR1PTGS1NOX1
SCHEMBL7039642 0.82 ESR2 (0.77) PTGS2ESR2ESR1PTGS1NOX1
SCHEMBL18160179 0.80 PTGS2 (0.67) PTGS2ESR2ESR1PTGS1MAPT
SCHEMBL6249475 0.79 DYRK1B (0.53) ESR2ESR1NOX1MAPTMAPK13
SCHEMBL15057905 0.77 PTGS2 (0.60) PTGS2ESR2ESR1PTGS1MAPT
SCHEMBL7039129 0.75 ESR1 (0.61) PTGS2ESR2ESR1PTGS1MAPT
Indoxole SCHEMBL29519430 0.74 PTGS2 (0.76) PTGS2ESR2ESR1PTGS1MAPT
Indoxole SCHEMBL42592 0.74 PTGS2 (0.76) PTGS2ESR2ESR1PTGS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2003-11-27 US claimed
US-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2003-11-27 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-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 PTGS2 735/4885ESR2 3/4885ESR1 1/4885

“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.