SCHEMBL4591109

SCHEMBL4591109

COC(=O)c1c(-c2ccc(OC)cc2)c2cc(OC)c(OC)cc2n1CCN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MAPK8 P45983 2/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
Hydrochloric Acid SCHEMBL4591112 0.99 ESR1 (0.45) ALDH1A1MAPTALOX15ESR1ESR2
SCHEMBL4883674 0.93 ALDH1A1 (0.42) ALDH1A1PDE3BPDE3AMAPK8TUBB4A
SCHEMBL4591982 0.92 ALDH1A1 (0.49) ALDH1A1TSHRGAAPOLB
Hydrochloric Acid SCHEMBL4883670 0.92 ALDH1A1 (0.41) ALDH1A1PDE3BPDE3AMAPK8TUBB4A
Hydrochloric Acid SCHEMBL4591984 0.91 ALDH1A1 (0.48) ALDH1A1TSHRGAAPOLB
SCHEMBL5157621 0.87 MAPK8 (0.45) MAPTPDE3BPDE3AMAPK8TUBB4A
SCHEMBL5174825 0.87 MAPK8 (0.45) ALDH1A1MAPTALOX15GAAPDE3B
SCHEMBL4591041 0.86 MAPK8 (0.44) ALDH1A1MAPTPDE3BPDE3AMAPK8
SCHEMBL4592507 0.86 MAPK8 (0.44) ALDH1A1MAPTALOX15GAAPDE3B
Hydrochloric Acid SCHEMBL4591042 0.85 MAPK8 (0.44) ALDH1A1MAPTPDE3BPDE3AMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US claimed
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP claimed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US claimed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO claimed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP claimed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 WO claimed
US-20080317857-A1 V-Atpase Inhibitors of Use in the Treatment of Septic Shock BRANE DISCOVERY S.R.L. (IT) 2008-12-25 US disclosed
US-20080317857-A1 V-Atpase Inhibitors of Use in the Treatment of Septic Shock BRANE DISCOVERY S.R.L. (IT) 2008-12-25 US disclosed
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US disclosed
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US disclosed
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP disclosed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US disclosed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO disclosed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP disclosed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 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 (3 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-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action IDO1, IDO2, INMT ALDH1A1 788/4885MAPT 4170/4885ALOX15 502/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT ALDH1A1 1731/4885MAPT 4048/4885ALOX15 433/4885
US-20080317857-A1 V-Atpase Inhibitors of Use in the Treatment of Septic Shock ATP6V1E1, ATP6V1H, ATP6V1G1 ALDH1A1 4432/4885MAPT 4121/4885ALOX15 3446/4885

“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.