SCHEMBL22628906

SCHEMBL22628906

Cc1noc(C2CCC(C(=O)O)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
HSD11B1 P28845 2/20 0.42
KDM1A O60341 4/20 0.41
CCR5 P51681 1/20 0.41
CHRM2 P08172 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
FAAH O00519 1/20 0.38
OGA O60502 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL22629018 0.90 KDM1A (0.44) EPHX2HSD11B1KDM1ACCR5CHRM2
SCHEMBL22628949 0.85 EPHX2 (0.43) EPHX2HSD11B1KDM1ACCR5CHRM2
SCHEMBL2307422 0.84
SCHEMBL2584008 0.83 EPHX2 (0.42) EPHX2HSD11B1CCR5CHRM2SMYD3
SCHEMBL2584012 0.83 EPHX2 (0.42) EPHX2HSD11B1CCR5CHRM2SMYD3
SCHEMBL22629906 0.81 EPHX2 (0.41) EPHX2HSD11B1CCR5CHRM2SMYD3
SCHEMBL2585948 0.81 CCR5 (0.43) EPHX2HSD11B1CCR5CHRM2SMYD3
SCHEMBL2585944 0.81 CCR5 (0.43) EPHX2HSD11B1CCR5CHRM2SMYD3
SCHEMBL22629613 0.80 SMYD3 (0.49) EPHX2HSD11B1CCR5SMYD3
SCHEMBL5007422 0.80 EPHX2 (0.43) EPHX2HSD11B1CCR5CHRM2FAAH

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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A EPHX2 1598/4885HSD11B1 340/4885KDM1A 2/4885

“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.