SCHEMBL21753386

SCHEMBL21753386

COC(=O)C12CC3CC(CC(C3)C1O)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
CNR2 P34972 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
FAAH O00519 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 3/20 0.35
EPHX1 P07099 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TSHR P16473 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
P2RX7 Q99572 1/20 0.35
HSD11B1 P28845 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
SCHEMBL6810416 0.81 MEN1 (0.41) MEN1KMT2AEPHX2SCN1ASCN2A
SCHEMBL11344046 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1GLAMEN1KMT2A
SCHEMBL27730301 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1GLACNR2MEN1
SCHEMBL692382 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1GLACNR2MEN1
Hydrochloric Acid SCHEMBL11330580 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1GLAMEN1KMT2A
SCHEMBL8709524 0.79 GLA (0.43) ALDH1A1L3MBTL1GLAMEN1KMT2A
SCHEMBL16534446 0.76 EPHX2 (0.35) ALDH1A1L3MBTL1FAAHHSD17B10EPHX2
SCHEMBL59961 0.76 CYP2C9 (0.36) ALDH1A1FAAHHSD17B10EPHX2EPHX1
SCHEMBL28838457 0.75 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHSD17B10EPHX2
SCHEMBL26180792 0.73 CYP2C9 (0.34) ALDH1A1MEN1KMT2AFAAHEPHX2

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-20210323910-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2021-10-21 US disclosed
WO-2020037350-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2020-02-27 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-20210323910-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS P2RX1, P2RX3, P2RX5 ALDH1A1 1697/4885L3MBTL1 4445/4885GLA 2636/4885

“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.