SCHEMBL21827872

SCHEMBL21827872

CC(=O)/C(=C/c1ccc(F)cc1Br)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
DHODH Q02127 3/20 0.41
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.39
HCAR2 Q8TDS4 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KMT2A Q03164 4/20 0.38
PLA2G2A P14555 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
MGLL Q99685 1/20 0.37
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
PLIN1 O60240 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
SCHEMBL21827873 1.00 ALDH1A1 (0.41) ALDH1A1DHODHKDM4EGAASTAT1
SCHEMBL6789277 0.88 CYP1A2 (0.44) ALDH1A1DHODHKDM4EGAASTAT1
SCHEMBL7978583 0.80 MAPT (0.42) GAACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7996247 0.78 CA1 (0.42) ALDH1A1DHODHKDM4ERAB9ALMNA
SCHEMBL6196563 0.77 DHODH (0.41) ALDH1A1DHODHKDM4EGAASTAT1
SCHEMBL6196558 0.77 DHODH (0.41) ALDH1A1DHODHKDM4EGAASTAT1
SCHEMBL22155728 0.75 GLO1 (0.48) ALDH1A1KDM4ELMNAHCAR2NR1H4
SCHEMBL6787162 0.75 NR1H4 (0.48) ALDH1A1KDM4EGAARAB9ALMNA
SCHEMBL7374470 0.71 MAPT (0.60) ALDH1A1RAB9AKMT2AMEN1MAPT
SCHEMBL7374472 0.71 MAPT (0.60) ALDH1A1RAB9AKMT2AMEN1MAPT

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-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2023-02-23 US disclosed
EP-3860991-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS Emory University (US) 2021-08-11 EP disclosed
CN-113166115-A Monomeric and multimeric anti-HBV agents 埃默里大学 2021-07-23 CN disclosed
WO-2020072955-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2020-04-09 WO disclosed
WO-2020072955-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2020-04-09 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 (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-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS HAVCR2, HMBS, HDGF ALDH1A1 2529/4885DHODH 1084/4885KDM4E 2085/4885

“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.