SCHEMBL3969003

SCHEMBL3969003

CC(C)(C)[Si](OC[C@H]1CCC[C@@H](O)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RHEB Q15382 3/20 0.34
CNR2 P34972 9/20 0.34
HTR2C P28335 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
SCHEMBL12153790 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2RHEB
SCHEMBL31645262 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2RHEB
SCHEMBL17556422 0.88 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL19284845 0.88 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL10380887 0.87 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2HTR2C
SCHEMBL31644626 0.87 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2CNR2
SCHEMBL31645002 0.87 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2CNR2
SCHEMBL22070999 0.87 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2HTR2C
SCHEMBL4381700 0.87 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2HTR2C
SCHEMBL4381696 0.87 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417420-A1 POLAR CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2024-12-19 US disclosed
WO-2023060021-A1 POLAR CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS MAGNANI JOHN L (US) 2023-04-13 WO disclosed
EP-1601671-B1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed
US-7148246-B2 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-12-12 US disclosed
EP-1601671-A1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2005-12-07 EP disclosed
EP-1599203-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
WO-2004076447-A1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed
WO-2004075891-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES CONTAINING ACIDIC, MAINLY HETEROCYCLIC GROUPS, CORRESPONDING PRODUCTION METHOD AND USE OF SAID DERIVATIVES AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 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 (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-20240417420-A1 POLAR CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS SIGLEC9, SIGLEC7, ASGR1 SMYD2 3652/4885CYP3A4 2715/4885HTT 4136/4885
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals GPR119, CPT1A, PC SMYD2 4577/4885CYP3A4 131/4885HTT 2737/4885

“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.