SCHEMBL5118101

SCHEMBL5118101

C=CC[Si](C)(C)c1ccc(CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.56
NR1H3 Q13133 4/20 0.56
TSHR P16473 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
CHKA P35790 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MAP2K4 P45985 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31
LTA4H P09960 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 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
SCHEMBL7740847 0.86 NR1H2 (0.44) NR1H2NR1H3PRSS1PRSS2PRSS3
SCHEMBL8836682 0.85 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL7739084 0.85 NR1H2 (0.53) NR1H2NR1H3TSHRCA12CA1
SCHEMBL7738421 0.82 NR1H2 (0.50) NR1H2NR1H3LTA4HCA2
SCHEMBL7732401 0.81 NR1H2 (0.51) NR1H2NR1H3TSHR
SCHEMBL10522173 0.80 NR1H2 (0.59) NR1H2NR1H3TSHRCA12CA1
SCHEMBL7732429 0.79 NR1H2 (0.50) NR1H2NR1H3TSHR
SCHEMBL31347674 0.79 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL7732393 0.79 NR1H2 (0.50) NR1H2NR1H3TSHRCA2
SCHEMBL7740839 0.78 NR1H2 (0.49) NR1H2NR1H3

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-7429670-B2 Synthesis of derivatives of ginkgolide C THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-09-30 US disclosed
US-20050119336-A1 Synthesis of derivatives of ginkgolide C NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US disclosed
WO-2005021496-A2 SYNTHESIS OF DERIVATIVES OF GINKGOLIDE C THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-03-10 WO disclosed
US-6416861-B1 COMBINATORIAL CHEMISTRY NORTHWESTERN UNIVERSITY 2002-07-09 US disclosed
WO-2000049022-A2 ORGANOSILICON COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2000-08-24 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 (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-20050119336-A1 Synthesis of derivatives of ginkgolide C GLRB, GLRA3, GRK7 NR1H2 372/4885NR1H3 327/4885TSHR 440/4885

“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.