SCHEMBL615179

SCHEMBL615179

COc1nc([Si](C)(C)C)cc(C)c1C=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ERN1 O75460 1/20 0.31
AKR1B1 P15121 1/20 0.31
RECQL P46063 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL613905 0.83 ERN1 (0.31) ERN1PRKDC
SCHEMBL2674287 0.82 CYP1A2 (0.44) POLBCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL614736 0.81 PRKDC (0.40) ERN1PRKDC
SCHEMBL616113 0.81 MCL1 (0.31) ERN1
SCHEMBL2579726 0.81 NFE2L2 (0.31) ERN1
SCHEMBL615268 0.79 PRKDC (0.31) ERN1PRKDC
SCHEMBL5372841 0.79 POLB (0.51) POLBCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL25272811 0.77 ALDH1A1 (0.36) POLBCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL6342720 0.69 PKM (0.34) ERN1
SCHEMBL5096718 0.68 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19ERN1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 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-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY POLB 691/4885CYP1A2 110/4885CYP2C9 89/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY POLB 691/4885CYP1A2 110/4885CYP2C9 89/4885

“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.