SCHEMBL5892467

SCHEMBL5892467

Fc1cc2ccc1-2.OBO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
FEN1 P39748 5/20 0.46
ALOX5AP P20292 4/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DHFR P00374 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CXCL12 P48061 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL4602934 0.86
Iodide SCHEMBL27931426 0.86
Hydrazine SCHEMBL28009365 0.81 FEN1 (0.52) ESR1ESR2FEN1ALOX5APKDM4E
SCHEMBL27868949 0.81
SCHEMBL28924716 0.80 ESR1 (0.48) ESR1ESR2FEN1ALOX5APKDM4E
SCHEMBL2910774 0.79 PTPRC (0.41) ESR1ESR2KDM4EMEN1USP2
Acetic Acid SCHEMBL28440456 0.78 AKR1C3 (0.54) ESR1ESR2KDM4EMEN1USP2
SCHEMBL19187325 0.77 APP (0.61) ESR1ESR2KDM4EMEN1USP2
Isothiocyanate SCHEMBL28406152 0.75 ESR1 (0.44) ESR1ESR2FEN1ALOX5APKDM4E
SCHEMBL16541914 0.75 APP (0.58) ESR1ESR2KDM4EMEN1USP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689404-B1 Preparation method of tetraboronic acid compounds, and tetraboronic acid compounds TAMKANG UNIVERSITY (TW) 2020-06-23 US claimed
US-7037905-B2 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2006-05-02 US claimed
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2004-03-18 US claimed
WO-2003105860-A1 PHARMACEUTICAL USE OF BORONIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 2003-12-24 WO claimed
US-10689404-B1 Preparation method of tetraboronic acid compounds, and tetraboronic acid compounds TAMKANG UNIVERSITY (TW) 2020-06-23 US disclosed
US-7037905-B2 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2006-05-02 US disclosed
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2004-03-18 US disclosed
WO-2003105860-A1 PHARMACEUTICAL USE OF BORONIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 2003-12-24 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-10689404-B1 Preparation method of tetraboronic acid compounds, and tetraboronic acid compounds TBCB, F7, ACAD9 ESR1 3175/4885ESR2 3349/4885FEN1 1819/4885
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof LIPE, CEL, LIPA ESR1 404/4885ESR2 639/4885FEN1 1237/4885

“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.