SCHEMBL14997680

SCHEMBL14997680

CC(C)(C)[Si](OC(C#Cc1ccccc1)CCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ PRSS1 P07477 2/20 0.31
▸ CTSG P08311 2/20 0.31
▸ CTRB1 P17538 2/20 0.31
▸ CMA1 P23946 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL14997679 0.87 FFAR1 (0.35) MEN1KMT2ABLMPRSS1CTSG
SCHEMBL23005253 0.72 KMT2A (0.34) MEN1ALDH1A1KMT2ASIGMAR1POLB
SCHEMBL18029421 0.70 MEN1 (0.35) MEN1KMT2ABLMPRSS1CTSG
SCHEMBL21810875 0.70 KMT2A (0.35) KMT2A
SCHEMBL9607156 0.69 CTSK (0.31) CTSK
SCHEMBL14998074 0.69 FFAR1 (0.33) MEN1ALDH1A1KMT2ASIGMAR1PRSS1
SCHEMBL28896083 0.68 SIGMAR1 (0.45) MEN1ALDH1A1KMT2ASIGMAR1HTR2A
SCHEMBL10424636 0.67 PRSS1 (0.34) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL9793858 0.66 BLM (0.35) MEN1KMT2ABLMPRSS1CTSG
SCHEMBL7547751 0.66 BLM (0.35) MEN1KMT2ABLMPRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 — — US disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 — — 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-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS MSH6, AP3M1, PMS2 MEN1 29/4885ALDH1A1 1300/4885KMT2A 1392/4885

“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.

Send feedback