SCHEMBL24673828

SCHEMBL24673828

CC1(C)OC2C(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@]3(C[C@H]3CO)O[C@@H]2O1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLB1 P16278 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
SCHEMBL24673965 0.80 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL24673556 0.80 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL24673966 0.80 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL22797551 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22797550 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22797486 0.73 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL22797482 0.73 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL24673034 0.73 OPRM1 (0.32) —
SCHEMBL18379865 0.71 SMYD2 (0.35) ALDH1A1CYP3A4HTTSMN1; SMN2GLB1
SCHEMBL10321660 0.70 ALDH1A1 (0.31) ALDH1A1CYP3A4HTTSMN1; 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 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 248/4885CYP3A4 969/4885HTT 3992/4885

“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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