SCHEMBL20064630

SCHEMBL20064630

COC(=O)[C@H]1C[C@H](Oc2cccc3c(Br)coc23)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
PDE5A O76074 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31
AR P10275 3/20 0.31
KAT2B Q92831 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
KDM4E B2RXH2 3/20 0.30
HSD17B10 Q99714 1/20 0.30
GLA P06280 1/20 0.30
PKM P14618 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20064111 0.86 ENPP2 (0.34) MEN1KMT2ARAB9AL3MBTL1AR
SCHEMBL21222449 0.86 ENPP2 (0.34) MEN1KMT2ARAB9AL3MBTL1AR
SCHEMBL20065591 0.78 DRD2 (0.35) AR
SCHEMBL21222460 0.78 DRD2 (0.35) AR
SCHEMBL21221992 0.77 KAT2B (0.35) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL21221989 0.77 KAT2B (0.35) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL21222187 0.76 SMN1; SMN2 (0.37) MEN1KMT2ALMNARAB9AL3MBTL1
SCHEMBL21222186 0.76 SMN1; SMN2 (0.37) MEN1KMT2ALMNARAB9AL3MBTL1
SCHEMBL20064110 0.75 MCHR1 (0.35) MEN1KMT2AAR
SCHEMBL20064643 0.72 EPHX2 (0.46) KMT2AALDH1A1HPGDHSD17B10SLC6A4

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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 MEN1 3899/4885KMT2A 2562/4885ALDH1A1 222/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 MEN1 3899/4885KMT2A 2562/4885ALDH1A1 222/4885

“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.