SCHEMBL21483751

SCHEMBL21483751

CC(C)(O)c1ccc(OCCCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.45
CYP3A4 P08684 1/20 0.45
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 2/20 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
SCHEMBL24533728 0.86 HRH3 (0.61) HRH3SMN1; SMN2CYP3A4PSMB1PSMB5
SCHEMBL9476152 0.85 HRH3 (0.59) HRH3SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL3264835 0.85 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4PSMB1PSMB5PSMB2
SCHEMBL10769416 0.85 HRH3 (0.54) HRH3SMN1; SMN2CYP3A4ALDH1A1KDM4E
SCHEMBL18905500 0.81 HRH3 (0.56) HRH3SMN1; SMN2CYP3A4PSMB1PSMB5
SCHEMBL19687568 0.81 SMN1; SMN2 (0.66) HRH3SMN1; SMN2CYP3A4PSMB1PSMB5
SCHEMBL24533712 0.81 HRH3 (0.55) HRH3SMN1; SMN2CYP3A4PSMB1PSMB5
SCHEMBL2530176 0.79 KCNA3 (0.50) SMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL11050244 0.79 HRH3 (0.54) HRH3SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10805417 0.79 SMN1; SMN2 (0.53) HRH3SMN1; SMN2PSMB1PSMB5PSMB2

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 5 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
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN 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
CN-110087729-A One kind has the dual-function compound of quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2019-08-02 CN 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 HRH3 332/4885SMN1; SMN2 2053/4885CYP3A4 1096/4885

“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.