SCHEMBL2878376

SCHEMBL2878376

CC(C)(C)OC(=O)n1ccc2c(Cl)cccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ STS P08842 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ BUB1 O43683 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ MAP4K2 Q12851 1/20 0.37
▸ CAMK2B Q13554 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37

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
SCHEMBL30763696 1.00 NOTUM (0.63) NOTUML3MBTL1HSP90AA1HSP90AB1STS
SCHEMBL3836430 0.84 L3MBTL1 (0.45) NOTUML3MBTL1HSP90AA1HSP90AB1BRD4
SCHEMBL424580 0.84 L3MBTL1 (0.48) NOTUML3MBTL1HSP90AA1HSP90AB1BRD4
SCHEMBL18487086 0.84 L3MBTL1 (0.45) NOTUML3MBTL1HSP90AA1HSP90AB1BRD4
SCHEMBL11221157 0.83 NOTUM (0.69) NOTUMNR3C2KMT2AMEN1ALDH1A1
SCHEMBL1284244 0.82 L3MBTL1 (0.44) NOTUML3MBTL1HSP90AA1HSP90AB1BRD4
SCHEMBL3237691 0.82 L3MBTL1 (0.44) NOTUML3MBTL1HSP90AA1HSP90AB1BRD4
SCHEMBL18788881 0.82 L3MBTL1 (0.44) NOTUML3MBTL1HSP90AA1HSP90AB1BRD4
SCHEMBL29507058 0.82 L3MBTL1 (0.44) NOTUML3MBTL1HSP90AA1HSP90AB1BRD4
SCHEMBL2878283 0.82 SCN9A (0.44) NOTUML3MBTL1BRD4CREBBPAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 — — EP disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 — — 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-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 NOTUM 2987/4885L3MBTL1 3527/4885HSP90AA1 3759/4885

“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.

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