SCHEMBL30354284

SCHEMBL30354284

CCOC(=O)CC(=O)[C@@H]1C[C@H]1CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NFKB1 P19838 2/20 0.32
▸ NFKB2 Q00653 2/20 0.32
▸ RELA Q04206 2/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL22051227 1.00 GAA (0.40) GAAMGAMSIMGAM2CYP1A2
SCHEMBL21987189 0.83 EPHX2 (0.32) EPHX2
SCHEMBL6160688 0.80 GAA (0.44) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6160692 0.80 GAA (0.44) GAAMGAMSIMGAM2CYP1A2
SCHEMBL20983291 0.76 DGAT1 (0.33) EPHX2
SCHEMBL20983294 0.76 DGAT1 (0.33) EPHX2
SCHEMBL19456106 0.76 DGAT1 (0.33) EPHX2
SCHEMBL18797562 0.76 GABRR1 (0.48) EPHX2
SCHEMBL21413387 0.76 GABRR1 (0.48) EPHX2
SCHEMBL21987681 0.76 GABRR1 (0.48) EPHX2

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 GAA 2071/4885MGAM 4187/4885SI 643/4885

“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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