SCHEMBL23720113

SCHEMBL23720113

O=S(=O)(c1ccccc1)[C@@]1(c2ccccc2)[C@@H](CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 5/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
EPHX2 P34913 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CA9 Q16790 2/20 0.31
MAPK1 P28482 1/20 0.31
CA12 O43570 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
SCHEMBL23720202 0.79 HSD11B1 (0.32) KMT2ANPC1RAB9ASMN1; SMN2GAA
SCHEMBL23720100 0.74 GAA (0.36) KMT2AMEN1GAAMCOLN3PSEN1
SCHEMBL23720025 0.74 GAA (0.36) KMT2AMEN1GAAMCOLN3PSEN1
SCHEMBL23720027 0.72 TDP1 (0.36) GAAALDH1A1HTR7
SCHEMBL23720151 0.72 TDP1 (0.36) GAAALDH1A1HTR7
SCHEMBL23720153 0.72 TDP1 (0.36) GAAALDH1A1HTR7
SCHEMBL23720197 0.69 GAA (0.37) KMT2ARAB9ASMN1; SMN2GAAMCOLN3
SCHEMBL23720158 0.69 GAA (0.37) KMT2ARAB9ASMN1; SMN2GAAMCOLN3
SCHEMBL23720115 0.69 GAA (0.37) KMT2ARAB9ASMN1; SMN2GAAMCOLN3
SCHEMBL23720156 0.69 GAA (0.38) KMT2ARAB9AGAAMCOLN3PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238133-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-08-05 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-20210238133-A1 CYCLOPROPANATION METHOD ADH1A, ADH1C, ADH5 KMT2A 3516/4885NPC1 2417/4885RAB9A 3924/4885

“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.