SCHEMBL13032794

SCHEMBL13032794

CCC(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)NC(=O)CCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.47
▸ SIRT2 Q8IXJ6 4/20 0.43
▸ SIRT1 Q96EB6 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ FOLH1 Q04609 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ CAPN2 P17655 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
SCHEMBL7616339 0.86 MEN1 (0.44) HTTHDAC8FOLH1ATMMAPT
SCHEMBL13322688 0.82 HTT (0.59) HDAC6SIRT2SIRT1HTTSIRT3
SCHEMBL12292620 0.80 HTT (0.55) HDAC6SIRT2SIRT1HTTSIRT3
SCHEMBL6516358 0.78 HDAC1 (0.46) HDAC6HDAC3HDAC1HDAC8
SCHEMBL6419856 0.78 MEN1 (0.44) HTTATMMAPTL3MBTL1
SCHEMBL12292637 0.78 MAPT (0.48) HDAC6SIRT2SIRT1HTTSIRT3
SCHEMBL3689628 0.78 TGM2 (0.45) HTTTGM2FOLH1MAPTL3MBTL1
SCHEMBL3691998 0.78 TGM2 (0.45) HTTTGM2FOLH1MAPTL3MBTL1
SCHEMBL14878516 0.78 ATM (0.50) HDAC8SYKATM
SCHEMBL3693466 0.77 HTT (0.43) SIRT2SIRT1HTTSIRT3TGM2

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
US-8507661-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 — — US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 — — 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-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 HDAC6 1001/4885SIRT2 853/4885SIRT1 569/4885

“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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