SCHEMBL21057476

SCHEMBL21057476

CC(C)(C)[Si](C)(C)OC1C=CCC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ CTSL P07711 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ FKBP1A P62942 2/20 0.36
▸ FABP7 O15540 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CPB1 P15086 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
SCHEMBL21057473 1.00 HPGD (0.40) HPGDCTSLNAMPTALDH1A1TSHR
SCHEMBL19916992 0.82 ALDH1A1 (0.43) HPGDNAMPTALDH1A1TSHRCA1
SCHEMBL3620841 0.78 HPGD (0.42) HPGDNAMPTALDH1A1TSHRFKBP1A
SCHEMBL21057326 0.78 ALDH1A1 (0.46) HPGDNAMPTALDH1A1TSHRCA1
SCHEMBL19916985 0.78 ALDH1A1 (0.46) HPGDNAMPTALDH1A1TSHRCA1
SCHEMBL19479240 0.78 CHRNB2 (0.32) SMN1; SMN2
SCHEMBL21138912 0.77 HPGD (0.42) HPGDCTSLNAMPTALDH1A1TSHR
SCHEMBL21138390 0.76 HPGD (0.41) HPGDNAMPTALDH1A1TSHRFKBP1A
SCHEMBL17148767 0.75 ABAT (0.30) —
SCHEMBL19916995 0.75 HPGD (0.42) HPGDNAMPTALDH1A1TSHRFKBP1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 — — EP disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 — — EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 — — US disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 — — 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A HPGD 252/4885CTSL 4303/4885NAMPT 289/4885

“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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