SCHEMBL2029906

SCHEMBL2029906

COc1ccc(COCC(O)CO[Si](C(C)C)(C(C)C)C(C)C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 6/20 0.55
LMNA P02545 3/20 0.50
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
LDHA P00338 1/20 0.40
MIF P14174 1/20 0.39

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
SCHEMBL2029904 1.00 TSHR (0.56) TSHRHTTALDH1A1LMNASTAT3
SCHEMBL8844963 0.80 TSHR (0.60) TSHRHTTALDH1A1LMNASTAT3
SCHEMBL8940495 0.80 TSHR (0.60) TSHRHTTALDH1A1LMNASTAT3
SCHEMBL14830221 0.80 TSHR (0.60) TSHRHTTALDH1A1LMNASTAT3
SCHEMBL14830246 0.80 TSHR (0.60) TSHRHTTALDH1A1LMNASTAT3
SCHEMBL8940504 0.79 TSHR (0.58) TSHRHTTALDH1A1LMNASTAT3
SCHEMBL8940508 0.79 TSHR (0.58) TSHRHTTALDH1A1LMNASTAT3
SCHEMBL509011 0.77 CA1 (0.57) TSHRHTTALDH1A1TP53MEN1
SCHEMBL13576478 0.74 TSHR (0.77) TSHRHTTALDH1A1LMNASMN1; SMN2
SCHEMBL29475007 0.73 CA2 (0.68) ALDH1A1STAT3KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166594-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-06-18 US disclosed
US-8604004-B2 Moenomycin analogs, methods of synthesis, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-12-10 US disclosed
US-20110136759-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-09 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 (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-20150166594-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF MSN, MGAM, NISCH TSHR 4135/4885HTT 3289/4885ALDH1A1 4636/4885
US-20110136759-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF MSN, MGAM, NISCH TSHR 4135/4885HTT 3289/4885ALDH1A1 4636/4885

“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.