SCHEMBL5336706

SCHEMBL5336706

O=Cc1c(O)cc(C23CCC(CC2)C3)cc1C12CCC(CC1)C2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
RARB P10826 3/20 0.34
RARA P10276 2/20 0.34
RARG P13631 2/20 0.34
CNR2 P34972 4/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL4077601 0.83 MEN1 (0.50) MEN1POLBGAAGFERKMT2A
SCHEMBL3969548 0.79 ERN1 (0.33) RARBRARARARG
SCHEMBL3966445 0.77 ERN1 (0.33) RARBRARARARG
SCHEMBL3970254 0.74 PADI4 (0.32) RARBRARARARG
SCHEMBL3963146 0.74 MEN1 (0.46) MEN1POLBGAAGFERKMT2A
SCHEMBL3970537 0.71 MEN1 (0.46) MEN1POLBGAAGFERKMT2A
SCHEMBL547745 0.68 ALDH1A1 (0.37) GAA
SCHEMBL11084834 0.65 ALOX5AP (0.49) MEN1POLBGAAGFERKMT2A
SCHEMBL3965380 0.65 ERN1 (0.44) MEN1KMT2A
SCHEMBL3049402 0.64 ALOX5AP (0.37) MEN1POLBGAAGFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157398-B2 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2007-01-02 US disclosed
US-20050148461-A1 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-07 US disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 MEN1 916/4885POLB 1449/4885GAA 3114/4885

“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.