SCHEMBL21987653

SCHEMBL21987653

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 2/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ PPM1B O75688 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PPP1CC P36873 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL22050982 0.85 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL20625164 0.81 PPM1B (0.45) ALDH1A1MEN1KMT2AMAPTPPM1B
SCHEMBL26430585 0.81 PPM1B (0.45) ALDH1A1MEN1KMT2AMAPTPPM1B
SCHEMBL20624778 0.81 PPM1B (0.45) ALDH1A1MEN1KMT2AMAPTPPM1B
SCHEMBL20624780 0.81 BTK (0.42) KMT2A
SCHEMBL1296762 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL23625395 0.78 PPM1B (0.45) ALDH1A1TSHRMAPTPPM1BPTPN1
SCHEMBL20624958 0.78 BTK (0.35) ALDH1A1MEN1KMT2AMAPT
SCHEMBL21987203 0.77 GAA (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL16097219 0.76 CHRM2 (0.39) MAPTGAA

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
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 — — 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 (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 4390/4885KMT2A 3153/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885MEN1 3150/4885KMT2A 3232/4885

“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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