SCHEMBL4008689

SCHEMBL4008689

COc1ccc(Oc2c(Cl)cc(CNO)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.46
▸ RORC P51449 1/20 0.46
▸ THRA P10827 3/20 0.46
▸ BCHE P06276 3/20 0.44
▸ ACHE P22303 3/20 0.44
▸ SLC6A4 P31645 3/20 0.43
▸ NPBWR1 P48145 3/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ 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

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
SCHEMBL4008223 0.82 THRB (0.63) THRBRORCTHRABCHEACHE
SCHEMBL5712350 0.80 THRB (0.55) THRBRORCTHRAMEN1KMT2A
SCHEMBL6366915 0.79 THRB (0.49) THRBRORCTHRABCHEACHE
SCHEMBL12312518 0.77 THRB (0.58) THRBRORCTHRANPBWR1TAS1R3
SCHEMBL157282 0.75 ALDH1A1 (0.62) THRBMEN1KMT2AALDH1A1HTT
SCHEMBL17087154 0.74 NPBWR1 (0.52) ACHENPBWR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL15660534 0.74 ALDH1A1 (0.60) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL23663172 0.73 TAS1R3 (0.45) THRBBCHEACHENPBWR1TAS1R3
SCHEMBL8545698 0.73 ALDH1A1 (0.49) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL283181 0.73 CA1 (0.58) THRBRORCTHRANPBWR1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383736-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-06-17 — — EP disclosed
US-6967220-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-11-22 — — US disclosed
US-20040106795-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-06-03 — — 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-20040106795-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 THRB 2643/4885RORC 4805/4885THRA 3654/4885

“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.

Send feedback