SCHEMBL21987229

SCHEMBL21987229

CC(C)(C)OC(=O)N1CC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]1C=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
GLS O94925 3/20 0.37
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NR1H2 P55055 1/20 0.34
FAAH O00519 1/20 0.34
FKBP1A P62942 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL22052541 1.00 ALDH1A1 (0.37) ALDH1A1GLSTSHRMEN1KMT2A
SCHEMBL21987227 1.00 ALDH1A1 (0.37) ALDH1A1GLSTSHRMEN1KMT2A
SCHEMBL14777314 0.90 NR1H2 (0.38) ALDH1A1GLSTSHRMEN1KMT2A
SCHEMBL14777315 0.90 NR1H2 (0.38) ALDH1A1GLSTSHRMEN1KMT2A
SCHEMBL17042419 0.86 GPR119 (0.39) ALDH1A1GLSTSHRMEN1KMT2A
SCHEMBL21987484 0.86 FKBP1A (0.33) FKBP1A
SCHEMBL21987291 0.84 NR1H2 (0.39) ALDH1A1GLSTSHRMEN1KMT2A
SCHEMBL26430593 0.84 ALDH1A1 (0.39) ALDH1A1GLSTSHRMEN1KMT2A
SCHEMBL21987288 0.84 NR1H2 (0.39) ALDH1A1GLSTSHRMEN1KMT2A
SCHEMBL22052542 0.84 NR1H2 (0.39) ALDH1A1GLSTSHRMEN1KMT2A

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 2 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-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 1615/4885GLS 879/4885TSHR 4103/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885GLS 1109/4885TSHR 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.