SCHEMBL5068232

SCHEMBL5068232

COCOc1ccc(-n2c(C)cc3cc(Br)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.34
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 5/20 0.34
ACLY P53396 1/20 0.34
MAPT P10636 7/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 6/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
MITF O75030 2/20 0.33
HKDC1 Q2TB90 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 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
SCHEMBL5066595 0.84 AKR1C3 (0.38) KDM4ENR4A1APEX1HTTMAPT
SCHEMBL75730 0.79 ALDH1A1 (0.43) KDM4EHTTMAPTMEN1KMT2A
SCHEMBL3128695 0.75 ALDH1A1 (0.42) KDM4EHTTMAPTMEN1KMT2A
SCHEMBL5829630 0.73 LMNA (0.45) KDM4EHTTMAPTMEN1KMT2A
SCHEMBL29843581 0.73 LMNA (0.45) KDM4EHTTMAPTMEN1KMT2A
SCHEMBL590310 0.71 ALDH1A1 (0.44) KDM4EGAAHTTMAPTMEN1
SCHEMBL30198972 0.70 CYP2A6 (0.45) KDM4EHTTMAPTMEN1KMT2A
SCHEMBL19617126 0.70 CYP2A6 (0.45) KDM4EHTTMAPTMEN1KMT2A
SCHEMBL14542619 0.70 RELA (0.44) KDM4EHTTMAPTMEN1KMT2A
SCHEMBL74352 0.68 ATM (0.42) KDM4EHTTMAPTMEN1KMT2A

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
EP-1653947-B1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS WYETH CORP (US) 2008-01-16 EP disclosed
US-20070249703-A1 (Hydroxyphenyl)-1H-Indole-3-Carbaldehyde Oxime Derivatives As Estrogenic Agents WYETH (US) 2007-10-25 US disclosed
US-7250440-B2 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents WYETH (US) 2007-07-31 US disclosed
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents WYETH (US) 2005-03-17 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 (2 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-20070249703-A1 (Hydroxyphenyl)-1H-Indole-3-Carbaldehyde Oxime Derivatives As Estrogenic Agents ESR1, ESR2, GPER1 KDM4E 444/4885GAA 4735/4885NR4A1 65/4885
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents ESR1, ESR2, GPER1 KDM4E 444/4885GAA 4735/4885NR4A1 65/4885

“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.