SCHEMBL22050982

SCHEMBL22050982

CCOC(=O)CC(=O)C1CCC(C(=O)OC(C)(C)C)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 2/20 0.35
▸ MGAM O43451 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL21987653 0.85 ALDH1A1 (0.43) ALDH1A1MEN1TSHRKMT2AGAA
SCHEMBL20624958 0.84 BTK (0.35) ALDH1A1MEN1KMT2AMAPT
SCHEMBL21987155 0.82 GAA (0.40) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL1021895 0.82 ALDH1A1 (0.45) ALDH1A1MEN1TSHRKMT2AGAA
SCHEMBL6890585 0.82 ALDH1A1 (0.45) ALDH1A1MEN1TSHRKMT2AGAA
SCHEMBL21987203 0.80 GAA (0.40) ALDH1A1MEN1KMT2AGAAMGAM
SCHEMBL20624780 0.76 BTK (0.42) KMT2APOLB
SCHEMBL25374777 0.75 BTK (0.46) ALDH1A1MEN1TSHRKMT2AGAA
SCHEMBL25374771 0.75 BTK (0.46) ALDH1A1MEN1TSHRKMT2AGAA
SCHEMBL1014646 0.73 GAA (0.58) ALDH1A1KMT2AGAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 — — US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 — — US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 — — US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 — — US disclosed
CN-110809574-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2020-02-18 — — CN 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL ALDH1A1 1615/4885MEN1 4390/4885TSHR 4103/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885MEN1 3150/4885TSHR 3525/4885

“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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