SCHEMBL29858302

SCHEMBL29858302

c1ccc2c(c1)c1c3ccccc3c3c4ccccc4c4c5ccccc5c5c6ccccc6c6c7ccccc7c2c2c1c3c4c5c62

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP1A2 P05177 4/20 0.50
HPGD P15428 2/20 0.50
THRB P10828 1/20 0.50
CYP2A6 P11509 3/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 1/20 0.41
GPR3 P46089 4/20 0.39
HPRT1 P00492 1/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 3/20 0.38
HIF1A Q16665 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL30019255 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL184685 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2537894 0.91 CYP1A2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2537974 0.91 CYP1A2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL262425 0.91 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL30951774 0.91 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL30092831 0.91 CYP1A2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29373271 0.91 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29733623 0.91 CYP1A2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5887748 0.91 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114767704-B Medicine structure capable of targeting hepatitis B virus and medicine composition 圣诺制药公司 2024-06-14 CN disclosed
US-20230392154-A1 TARGETED NUCLEIC ACID THERAPY FOR HEPATITIS B SIRNAOMICS, INC. 2023-12-07 US disclosed
WO-2022172083-A2 TARGETED NUCLEIC ACID THERAPY FOR HEPATITIS B SIRNAOMICS, INC. (US) 2022-08-18 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-20230392154-A1 TARGETED NUCLEIC ACID THERAPY FOR HEPATITIS B HAVCR2, POLRMT, FABP1 ALDH1A1 2500/4885HSD17B10 1357/4885CYP1A2 4539/4885

“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.