SCHEMBL4677052

SCHEMBL4677052

C[SiH](C)OC(O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ ACHE P22303 3/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ BCHE P06276 4/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ PNMT P11086 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32

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
SCHEMBL7922181 0.82 GABRA1 (0.40) RXRARXRB
SCHEMBL21451452 0.81 HDAC8 (0.42) HDAC8HDAC4HDAC2ACHERXRA
SCHEMBL6771920 0.80 HDAC4 (0.35) HDAC8HDAC4HDAC2ACHERXRA
SCHEMBL8113711 0.79 LMNA (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3235713 0.78 RXRA (0.43) HDAC8HDAC4HDAC2ACHERXRA
SCHEMBL5871219 0.76 PNMT (0.42) HDAC8HDAC4HDAC2ACHERXRA
SCHEMBL21654175 0.76 HDAC8 (0.47) HDAC8HDAC4HDAC2ACHERXRA
SCHEMBL475370 0.74 HDAC4 (0.46) HDAC8HDAC4HDAC2ACHERXRA
SCHEMBL20668795 0.73 HDAC4 (0.44) HDAC8HDAC4HDAC2ACHERXRA
SCHEMBL19589404 0.73 HDAC8 (0.44) HDAC8HDAC4HDAC2ACHERXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 — — EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 — — US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 — — US disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 — — EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 — — US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 — — WO disclosed
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 — — US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 — — EP 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 (2 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HDAC8 958/4885HDAC4 74/4885HDAC2 97/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HDAC8 958/4885HDAC4 74/4885HDAC2 97/4885

“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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