SCHEMBL30169610

SCHEMBL30169610

COc1cc(O[C@H]2C[C@H](C(=O)O)C2)c(-c2cc(=O)c3cccc(Cl)c3o2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1A1 P04798 7/20 0.41
▸ CYP1B1 Q16678 7/20 0.41
▸ CYP1A2 P05177 7/20 0.41
▸ CSNK2A2 P19784 5/20 0.38
▸ CSNK2B P67870 5/20 0.38
▸ CSNK2A1 P68400 5/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GMNN O75496 1/20 0.35

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
SCHEMBL21823168 1.00 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL25098012 1.00 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL30169704 0.96 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822521 0.96 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL22230849 0.94 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822514 0.94 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL30169707 0.94 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL25097559 0.91 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL30169797 0.91 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL28571623 0.91 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E

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 2 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-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 — — US 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 ALDH1A1 455/4885HPGD 1409/4885CYP3A4 32/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 ALDH1A1 455/4885HPGD 1409/4885CYP3A4 32/4885

“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.

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