SCHEMBL21809613

SCHEMBL21809613

CCOC(=O)c1c(Cl)c(C(=O)C(=O)O)n2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 4/20 0.47
PDE3B Q13370 6/20 0.43
PDE3A Q14432 6/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 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
SCHEMBL21810159 0.90 ALDH1A1 (0.48) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL21843980 0.85 ALDH1A1 (0.48) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL21809503 0.84 ALDH1A1 (0.45) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL22307958 0.83 MAPK1 (0.50) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL23223841 0.82 MAPK1 (0.55) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL22307721 0.78 SLC10A1 (0.51) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL22307696 0.78 SLC10A1 (0.51) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL28634542 0.78 SLC10A1 (0.51) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL696571 0.76 MAPK1 (0.51) ALDH1A1GAAALOX15MAPK1PDE3B
SCHEMBL2049935 0.75 PDE3B (0.50) ALDH1A1GAAALOX15MAPK1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2022-09-22 US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
EP-3807246-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-21 EP disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 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 (6 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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885GAA 1088/4885ALOX15 4125/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885GAA 1088/4885ALOX15 4125/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885GAA 1088/4885ALOX15 4125/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885GAA 1088/4885ALOX15 4125/4885
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885GAA 1088/4885ALOX15 4125/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885GAA 1088/4885ALOX15 4125/4885

“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.