SCHEMBL24673965

SCHEMBL24673965

CCOC(=O)[C@H]1C[C@@]12O[C@@H]1OC(C)(C)OC1C2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PKM P14618 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
SCHEMBL24673966 1.00 ALDH1A1 (0.35) ALDH1A1TSHRTP53HTTL3MBTL1
SCHEMBL24673556 1.00 ALDH1A1 (0.35) ALDH1A1TSHRTP53HTTL3MBTL1
SCHEMBL24673828 0.80 ALDH1A1 (0.32) ALDH1A1HTT
SCHEMBL10321660 0.70 ALDH1A1 (0.31) ALDH1A1HTT
SCHEMBL12509362 0.70 ALDH1A1 (0.31) ALDH1A1HTT
SCHEMBL22797482 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22797486 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31252043 0.69 HTT (0.40) ALDH1A1TSHRTP53HTTL3MBTL1
SCHEMBL24673034 0.69 OPRM1 (0.32) —
SCHEMBL26455239 0.69 GAA (0.33) ALDH1A1TSHRMAPTPKM

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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 — — 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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 ALDH1A1 248/4885TSHR 3334/4885TP53 4623/4885

“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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