SCHEMBL18656603

SCHEMBL18656603

C[C@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
ATM Q13315 1/20 0.40
CTSS P25774 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
CTSB P07858 2/20 0.39
CTSL P07711 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL14948713 0.85 ESRRB (0.43) ALDH1A1L3MBTL1KMT2APOLBMAPT
SCHEMBL15452092 0.81 APAF1 (0.39) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL23008679 0.81 ALDH1A1 (0.53) ALDH1A1ATMCTSSMAPK1L3MBTL1
SCHEMBL19273823 0.81 APAF1 (0.39) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL19273972 0.79 NPC1 (0.33) ALDH1A1ATMPOLBMAPTSMN1; SMN2
SCHEMBL19274004 0.79 NPC1 (0.33) ALDH1A1ATMPOLBMAPTSMN1; SMN2
SCHEMBL11057964 0.77 ALDH1A1 (0.51) ALDH1A1ATMCTSSMAPK1L3MBTL1
SCHEMBL18656643 0.76 PIN1 (0.39) ALDH1A1L3MBTL1KMT2ATDP1POLB
SCHEMBL13743037 0.75 SMN1; SMN2 (0.36) ALDH1A1ATML3MBTL1KMT2ATDP1
SCHEMBL25207205 0.74 ALDH1A1 (0.49) ALDH1A1ATMCTSSMAPK1L3MBTL1

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 ALDH1A1 1010/4885ATM 3274/4885CTSS 1304/4885

“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.