SCHEMBL7227677

SCHEMBL7227677

CC(C)(C)[Si](C)(C)Oc1cccc(C(=O)CCCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HSD11B1 P28845 1/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL4000875 0.92 NR4A2 (0.46) HSD11B1CTNNB1WNT3ATHRATHRB
SCHEMBL2676116 0.82 HSP90AA1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL555801 0.82 GSK3B (0.48) HSD11B1CTNNB1WNT3AHSP90AA1HSP90AB1
SCHEMBL5182076 0.82 CTNNB1 (0.45) HSD11B1CTNNB1WNT3AHSP90AA1HSP90AB1
SCHEMBL2989104 0.81 AKR1C3 (0.53) HSP90AA1HSP90AB1
SCHEMBL3079676 0.80 CA1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9583175 0.80 NPC1 (0.41) HSD11B1CTNNB1WNT3AHSP90AA1HSP90AB1
SCHEMBL28188567 0.79 PDE4B (0.67) PDE4BHDAC3HDAC4HDAC1HDAC7
SCHEMBL8008498 0.79 RAB9A (0.50) HSD11B1HSP90AA1HSP90AB1MAPTTDP1
SCHEMBL30785086 0.78 STS (0.50) HSP90AA1HSP90AB1HPGDALDH1A1CYP1A2

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-6525074-B2 Peptidomimetic macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras MERCK & CO., INC. 2003-02-25 US disclosed
US-20020049217-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-04-25 US disclosed
WO-2001051126-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 WO 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-20020049217-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS PDE4B 3014/4885HDAC3 3233/4885HDAC4 3488/4885

“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.