SCHEMBL5889116

SCHEMBL5889116

CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1Sc1ccccc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 12/20 0.77
TUBB P07437 12/20 0.77
TUBA3C P0DPH7 12/20 0.77
TUBA1B P68363 12/20 0.77
TUBA4A P68366 12/20 0.77
TUBB4B P68371 12/20 0.77
TUBB3 Q13509 12/20 0.77
TUBB2A Q13885 12/20 0.77
TUBB8 Q3ZCM7 12/20 0.77
TUBA3E Q6PEY2 12/20 0.77
TUBA1A Q71U36 12/20 0.77
TUBA1C Q9BQE3 12/20 0.77
TUBB6 Q9BUF5 12/20 0.77
TUBB2B Q9BVA1 12/20 0.77
TUBB1 Q9H4B7 12/20 0.77
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL5889261 0.87 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4772008 0.86 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812212 0.81 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5809749 0.81 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5811856 0.80 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4591940 0.76 ALDH1A1 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5809644 0.76 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812739 0.74 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14174310 0.74 KDM4E (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4592152 0.72 KDM4E (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-7074814-B2 3-substituted indoles and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
EP-1644360-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP disclosed
US-20050004195-A1 3-Substituted indoles and derivatives thereof as therapeutic agents PARA KIMBERLY SUZANNE (US) 2005-01-06 US disclosed
WO-2004108708-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20050004195-A1 3-Substituted indoles and derivatives thereof as therapeutic agents IDO1, TPH1, IDO2 TUBB4A 3259/4885TUBB 3222/4885TUBA3C 2949/4885

“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.