SCHEMBL21822702

SCHEMBL21822702

O=C(O)c1cccc(OCCOc2cc(Br)ccc2-c2cc(=O)c3cccc(Cl)c3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
NR4A2 P43354 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
TTR P02766 3/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PLA2G4B P0C869 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
NR1H4 Q96RI1 2/20 0.37

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
SCHEMBL21822648 0.92 GPR35 (0.42) NR4A2TTRCYSLTR1MAPTPKM
SCHEMBL21822396 0.86 NPC1 (0.51) KMT2ANPC1RAB9AMRGPRX4MAPT
SCHEMBL30169806 0.86 NPC1 (0.51) KMT2ANPC1RAB9AMRGPRX4MAPT
SCHEMBL21822605 0.85 HPGD (0.40) KMT2ANPC1RAB9ATTRMAPT
SCHEMBL30169634 0.85 HPGD (0.40) KMT2ANPC1RAB9ATTRMAPT
SCHEMBL30169725 0.85 FFAR4 (0.40) RAB9AMAPTNR1H4
SCHEMBL21822842 0.85 FFAR4 (0.40) RAB9AMAPTNR1H4
SCHEMBL21822851 0.84 HPGD (0.38) KMT2ANPC1RAB9ATTRMAPT
SCHEMBL21822836 0.84 CYSLTR2 (0.42) KMT2ARAB9ACYSLTR1MAPTNR1H4
SCHEMBL21822693 0.83 HPGD (0.43) KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US claimed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 US claimed
EP-3860984-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-11 EP claimed
CN-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 CN claimed
WO-2020070088-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-09 WO claimed
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 US disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 US disclosed
EP-3860984-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 CN disclosed
WO-2020070088-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 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 (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-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease CCNE2, CCNE1, CCNT1 KMT2A 2914/4885NR4A2 413/4885NPC1 178/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 KMT2A 2914/4885NR4A2 413/4885NPC1 178/4885

“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.