SCHEMBL21483689

SCHEMBL21483689

CC(OCCCBr)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.39
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL11883291 0.90 PGR (0.45) KMT2AMEN1PGRADRA2AADRA2B
SCHEMBL28385696 0.85 PGR (0.47) KMT2AMEN1PGRADRA2AADRA2B
SCHEMBL11345805 0.83 TSHR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL25419167 0.81 PGR (0.46) KMT2AMEN1PGRADRA2AADRA2B
SCHEMBL5987498 0.78 PGR (0.49) KMT2AMEN1PGRADRA2AADRA2B
SCHEMBL9223639 0.78 PGR (0.53) KMT2AMEN1PGRADRA2AADRA2B
SCHEMBL17861076 0.77 KMT2A (0.38) KMT2AMEN1PGRADRA2AADRA2B
Water SCHEMBL16321966 0.76 CHRM4 (0.53) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL27874264 0.76 PGR (0.47) KMT2AMEN1PGRADRA2AADRA2B
SCHEMBL15803445 0.75 PGR (0.44) KMT2AMEN1PGRADRA2AADRA2B

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-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
EP-3556435-B1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
EP-3556435-A1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE Beijing Showby Pharmaceutical Co., Ltd. (CN) 2019-10-23 EP 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-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 KMT2A 1079/4885MEN1 3713/4885PGR 2217/4885

“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.