SCHEMBL18656643

SCHEMBL18656643

CCOC(=O)[C@H](C)C(C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP8 P22894 2/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.35
PRNP P04156 1/20 0.35

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
SCHEMBL18656480 0.86 MAPT (0.42) MEN1NPC1KMT2APOLBTSHR
SCHEMBL14948713 0.79 ESRRB (0.43) MEN1KMT2APOLBTSHRALDH1A1
SCHEMBL12947857 0.78 TRPA1 (0.36) GAA
SCHEMBL17022182 0.76 TOP2A (0.40) POLBALDH1A1GAA
SCHEMBL18656603 0.76 ALDH1A1 (0.44) KMT2APOLBALDH1A1TDP1L3MBTL1
SCHEMBL14223712 0.75 PIN1 (0.35) PIN1MEN1NPC1KMT2APOLB
SCHEMBL19273823 0.75 APAF1 (0.39) POLBALDH1A1L3MBTL1MAPT
SCHEMBL18656597 0.75 APAF1 (0.39) POLBALDH1A1L3MBTL1MAPT
SCHEMBL15452092 0.75 APAF1 (0.39) POLBALDH1A1L3MBTL1MAPT
SCHEMBL18656481 0.74 MAPT (0.41) MEN1NPC1KMT2APOLBALDH1A1

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-9808531-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2017-11-07 US disclosed
US-20170080092-A1 Compounds And Compositions for the Treatment of Ocular Disorders Graybug Vision, Inc. (US) 2017-03-23 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-20170080092-A1 Compounds And Compositions for the Treatment of Ocular Disorders PTGIR, PTGIS, CA2 PIN1 1361/4885MEN1 3138/4885NPC1 1380/4885

“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.