SCHEMBL91152

SCHEMBL91152

CC(C)(CCCO)[Si](C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL2632363 0.97 CYP4F2 (0.35) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL7937781 0.95 CYP4F2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL13264348 0.95 CYP4F2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL16124356 0.95 CYP4F2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL19480944 0.91 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL15214380 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL91197 0.79 FDPS (0.33) LMNAALDH1A1TSHR
SCHEMBL19480906 0.78 FFAR1 (0.32)
SCHEMBL12420781 0.78 TDP1 (0.40)
SCHEMBL15425123 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049383-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-03-30 WO disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-9045403-B2 Geranyl geranyl acetone (GGA) derivatives and compositions thereof COYOTE PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
US-20130296323-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-20120172453-A1 METHODS FOR TREATING NEURODEGENERATIVE DISEASES COYOTE PHARMACEUTICALS, INC. 2012-07-05 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
WO-2011053821-A1 MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2011-05-05 WO disclosed
WO-2010101951-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 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 (3 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-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 SMN1; SMN2 465/4885LMNA 3732/4885ALDH1A1 2978/4885
US-20130296323-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM BAX, GAP43, SMN1; SMN2 SMN1; SMN2 3/4885LMNA 1258/4885ALDH1A1 3039/4885
US-20120172453-A1 METHODS FOR TREATING NEURODEGENERATIVE DISEASES API5, GAP43, GRN SMN1; SMN2 55/4885LMNA 1664/4885ALDH1A1 1413/4885

“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.