SCHEMBL21869099

SCHEMBL21869099

CCOC(=O)c1c(Cl)cc2n1CCCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 3/20 0.47
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
HPGD P15428 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 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
SCHEMBL21868893 0.99 ALDH1A1 (0.47) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL21868844 0.94 MAPK1 (0.46) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL19900896 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDSMN1; SMN2TSHR
SCHEMBL22646289 0.76 POLB (0.36) ALDH1A1HPGDRAB9ANPC1POLB
SCHEMBL31305754 0.75 ALDH1A1 (0.43) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL22646427 0.74 SLC10A1 (0.34) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL21869100 0.74 ALDH1A1 (0.42) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL25318763 0.70 RAB9A (0.45) ALDH1A1GAAALOX15HPGDRAB9A
SCHEMBL21868870 0.70 BAZ2B (0.41) ALDH1A1GAAMAPK1PDE3BPDE3A
SCHEMBL21868952 0.70 HSP90AA1 (0.36) ALDH1A1MAPK1HPGDSMN1; SMN2TSHR

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 2589/4885GAA 2926/4885ALOX15 3040/4885
US-20200354366-A1 BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B SLC10A1, NR1H4, NUP188 ALDH1A1 3164/4885GAA 2743/4885ALOX15 3392/4885

“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.