SCHEMBL21822641

SCHEMBL21822641

COC(=O)c1cc(I)c(Br)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
KDM4E B2RXH2 7/20 0.46
SOS1 Q07889 1/20 0.43
HPGD P15428 4/20 0.43
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
CFTR P13569 1/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL29046554 0.81 GAA (0.50) GAALCKFYNKDM4EPOLB
SCHEMBL22134879 0.81 GAA (0.50) GAALCKFYNKDM4EHPGD
SCHEMBL31460065 0.81 SOS1 (0.48) GAALCKFYNKDM4ESOS1
SCHEMBL20129708 0.81 SOS1 (0.44) GAAKDM4ESOS1HPGDCFTR
SCHEMBL1918973 0.81 GAA (0.50) GAAKDM4EHPGDPOLBHTT
SCHEMBL383036 0.80 GAA (0.53) GAALCKFYNKDM4ESOS1
SCHEMBL23874532 0.79 GAA (0.61) GAAKDM4EHPGDPOLBHTT
Ammonia Solution, Strong SCHEMBL22116619 0.79 GAA (0.49) GAALCKFYNKDM4EHPGD
SCHEMBL2596444 0.79 GAA (0.66) GAAKDM4EHPGDPOLBHTT
SCHEMBL24918216 0.79 CFTR (0.60) GAAKDM4ESOS1HPGDPOLB

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-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 GAA 1531/4885LCK 3967/4885FYN 3896/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 GAA 1531/4885LCK 3967/4885FYN 3896/4885

“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.