SCHEMBL21987398

SCHEMBL21987398

CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.COC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 3/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
CASP1 P29466 1/20 0.32
BACE1 P56817 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 2/20 0.32
ABL1 P00519 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 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
SCHEMBL20064242 0.93 ALDH1A1 (0.37) ALDH1A1ATMCYP3A4HSD17B10CYP1A2
SCHEMBL20495445 0.93 ALDH1A1 (0.37) ALDH1A1ATMCYP3A4HSD17B10CYP1A2
SCHEMBL5830984 0.91 ALDH1A1 (0.36) ALDH1A1ATMCYP3A4HSD17B10CYP1A2
SCHEMBL5830982 0.91 ALDH1A1 (0.36) ALDH1A1ATMCYP3A4HSD17B10CYP1A2
SCHEMBL28371955 0.84 MCL1 (0.32) BACE1
SCHEMBL26964685 0.84 ALDH1A1 (0.38) ALDH1A1ATMCYP3A4HSD17B10CYP1A2
SCHEMBL31414305 0.82 BACE1 (0.36) CYP3A4SMN1; SMN2BACE1HTTABL1
SCHEMBL5571506 0.82 HSD11B1 (0.37) ALDH1A1ATMHSD17B10CYP1A2SMN1; SMN2
SCHEMBL5571511 0.82 HSD11B1 (0.37) ALDH1A1ATMHSD17B10CYP1A2SMN1; SMN2
SCHEMBL5571508 0.82 HSD11B1 (0.37) ALDH1A1ATMHSD17B10CYP1A2SMN1; SMN2

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 1615/4885ATM 3664/4885CYP3A4 215/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885ATM 3899/4885CYP3A4 42/4885

“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.