SCHEMBL15260520

SCHEMBL15260520

c1cc(C2CCCCCCC2)ccc1C1CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ NOTUM Q6P988 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ CYP11B2 P19099 1/20 0.50
▸ HAO1 Q9UJM8 2/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ACMSD Q8TDX5 1/20 0.47

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
SCHEMBL6275125 1.00 HDAC8 (0.52) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL28584923 1.00 HDAC8 (0.52) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL42782 1.00 HDAC8 (0.52) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL5146632 0.97 ESR2 (0.52) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL781509 0.97 HDAC1 (0.54) HDAC8HDAC6HDAC1HTTLMNA
Hydrogen Peroxide SCHEMBL11391495 0.94 HAO1 (0.55) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL5147779 0.93 ESR2 (0.54) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL59138 0.91 NOTUM (0.55) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL5886587 0.90 ESR2 (0.56) HDAC8HDAC6HDAC1HTTLMNA
SCHEMBL28451253 0.88 NOTUM (0.53) HDAC8HDAC6HDAC1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657231-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (US) 2013-10-30 — — EP claimed
US-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF ALLA CHEM LLC (US) 2013-09-26 — — US claimed
EP-2808325-A1 Substituted azoles, anti-viral active ingredient, pharmaceutical composition, method for the production and use thereof Alla Chem, LLC. (US) 2014-12-03 — — EP disclosed
EP-2657231-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (US) 2013-10-30 — — EP disclosed
US-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF ALLA CHEM LLC (US) 2013-09-26 — — 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-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF HCCS, EIF2AK2, HAVCR2 HDAC8 1341/4885HDAC6 815/4885HDAC1 459/4885

“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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