SCHEMBL21869100

SCHEMBL21869100

CCOC(=O)c1c(Cl)cc2n1CCCC=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MAPK1 P28482 4/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 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
SCHEMBL21868870 0.92 BAZ2B (0.41) ALDH1A1BAZ2BBAZ2APDE3BPDE3A
SCHEMBL21868841 0.84 ALDH1A1 (0.40) ALDH1A1BAZ2BBAZ2AMAPTPKM
SCHEMBL21869440 0.77 SLC10A1 (0.33)
SCHEMBL21868844 0.76 MAPK1 (0.46) ALDH1A1BAZ2BBAZ2APDE3BPDE3A
SCHEMBL21868893 0.75 ALDH1A1 (0.47) ALDH1A1BAZ2BBAZ2APDE3BPDE3A
SCHEMBL21868979 0.74 PRKCZ (0.35) ALDH1A1MAPTMAPK1POLBGAA
SCHEMBL21869099 0.74 ALDH1A1 (0.48) ALDH1A1PDE3BPDE3ACYP4F2CYP4A11
SCHEMBL7956085 0.71 ALDH1A1 (0.39) ALDH1A1BAZ2BBAZ2APDE3BPDE3A
SCHEMBL7956091 0.71 ALDH1A1 (0.39) ALDH1A1BAZ2BBAZ2APDE3BPDE3A
SCHEMBL6380311 0.70 NPC1 (0.39) ALDH1A1MAPTPOLBKMT2AGAA

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
US-11591334-B2 Substituted pyrrolizines for the treatment of hepatitis B SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-02-28 US disclosed
US-20200354366-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2020-11-12 US disclosed
EP-3628674-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2020-04-01 EP 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-11591334-B2 Substituted pyrrolizines for the treatment of hepatitis B SLC10A1, NUP188, NR1H4 ALDH1A1 2589/4885BAZ2B 346/4885BAZ2A 433/4885
US-20200354366-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B SLC10A1, NR1H4, NUP188 ALDH1A1 3164/4885BAZ2B 331/4885BAZ2A 587/4885

“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.