SCHEMBL19916995

SCHEMBL19916995

CC(C)(C)[Si](C)(C)OC1CC(C(=O)OCc2ccccc2)CC2OC21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
NAMPT P43490 1/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ELANE P08246 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
FKBP1A P62942 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL21138912 0.83 HPGD (0.42) HPGDNAMPTTSHRALDH1A1FKBP1A
SCHEMBL21138390 0.78 HPGD (0.41) HPGDNAMPTTSHRALDH1A1FKBP1A
SCHEMBL3620841 0.77 HPGD (0.42) HPGDNAMPTTSHRALDH1A1FKBP1A
SCHEMBL21057365 0.77 PPP5C (0.33)
SCHEMBL21082033 0.77 PPP5C (0.33)
SCHEMBL21057367 0.77 PPP5C (0.33)
SCHEMBL24535022 0.77 ALDH1A1 (0.51) HPGDNAMPTTSHRALDH1A1L3MBTL1
SCHEMBL12398445 0.77 ALDH1A1 (0.51) HPGDNAMPTTSHRALDH1A1L3MBTL1
SCHEMBL17613464 0.77 ALDH1A1 (0.51) HPGDNAMPTTSHRALDH1A1L3MBTL1
SCHEMBL30003454 0.77 ALDH1A1 (0.51) HPGDNAMPTTSHRALDH1A1L3MBTL1

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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
WO-2018038265-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2018-03-01 WO 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A HPGD 252/4885NAMPT 289/4885TSHR 4597/4885

“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.