SCHEMBL4883674

SCHEMBL4883674

COC(=O)c1c(-c2ccc(OC)cc2)c2cc(OC)c(OC)cc2n1CCN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MAPK8 P45983 2/20 0.42
EGFR P00533 1/20 0.42
KDR P35968 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
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 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 SCHEMBL4883670 0.99 ALDH1A1 (0.41) ALDH1A1PDE3BPDE3AMAPK8EGFR
SCHEMBL4591109 0.93 ALDH1A1 (0.45) ALDH1A1PDE3BPDE3AMAPK8TUBB4A
Hydrochloric Acid SCHEMBL4591112 0.92 ESR1 (0.45) ALDH1A1PDE3BPDE3AMAPK8
SCHEMBL4591982 0.91 ALDH1A1 (0.49) ALDH1A1L3MBTL1
SCHEMBL5424965 0.91 EDNRA (0.50) EDNRBEDNRA
Hydrochloric Acid SCHEMBL4591984 0.90 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL5174825 0.86 MAPK8 (0.45) ALDH1A1PDE3BPDE3AMAPK8TUBB4A
SCHEMBL5157621 0.86 MAPK8 (0.45) PDE3BPDE3AMAPK8TUBB4ATUBB
SCHEMBL4591041 0.85 MAPK8 (0.44) ALDH1A1PDE3BPDE3AMAPK8TUBB4A
SCHEMBL4592507 0.85 MAPK8 (0.44) ALDH1A1PDE3BPDE3AMAPK8TUBB4A

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 6 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
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US claimed
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-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US 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 (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-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action IDO1, IDO2, INMT ALDH1A1 788/4885PDE3B 2004/4885PDE3A 1553/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT ALDH1A1 1731/4885PDE3B 1154/4885PDE3A 1177/4885

“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.