SCHEMBL23329862

SCHEMBL23329862

COC(=O)C12CCC(CSc3ccc(OC)cc3)(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
NPC1 O15118 3/20 0.42
TP53 P04637 1/20 0.42
RYR2 Q92736 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
CTSK P43235 1/20 0.37
CHRM1 P11229 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL23329469 0.86 SMN1; SMN2 (0.40) NPC1ALDH1A1KMT2ARAB9AMAPT
SCHEMBL23369952 0.74 AOC2 (0.47) ALDH1A1KMT2AMAPTMEN1
SCHEMBL23329492 0.73 SMN1; SMN2 (0.41) NPC1ALDH1A1KMT2ARAB9AMAPT
SCHEMBL21805979 0.73 ATM (0.44) NPC1ALDH1A1KMT2ARAB9AMAPT
SCHEMBL13211371 0.71 CHRM1 (0.35) CHRM1
SCHEMBL22026919 0.68 NAAA (0.46) NPC1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL2445606 0.67 NPSR1 (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL14087273 0.66 CHRM1 (0.39) LMNACHRM1
SCHEMBL10164849 0.66 CHRM1 (0.39) LMNACHRM1
SCHEMBL11986376 0.65 ALDH1A1 (0.72) MTNR1AMTNR1BNPC1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026801-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE INC. 2023-01-26 US disclosed
US-20210147360-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE INC. 2021-05-20 US disclosed
WO-2021083209-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-05-06 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 (2 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-20230026801-A1 SSAO INHIBITORS AND USE THEREOF SSB, HAO1, SORD MTNR1A 1756/4885MTNR1B 2071/4885NPC1 409/4885
US-20210147360-A1 SSAO INHIBITORS AND USE THEREOF SSB, HAO1, SORD MTNR1A 1756/4885MTNR1B 2071/4885NPC1 409/4885

“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.