SCHEMBL20227072

SCHEMBL20227072

O=C(OC[C@@]1(C(F)F)OC[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ ABCB1 P08183 5/20 0.39
▸ BCHE P06276 3/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL20227073 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL26290154 0.81 ABCB1 (0.46) ABCB1BCHE
SCHEMBL26277654 0.79 ABCB1 (0.39) ALDH1A1ABCB1BCHE
SCHEMBL7149873 0.78 ABCB1 (0.43) ABCB1BCHE
SCHEMBL11398254 0.78 ABCB1 (0.43) ABCB1BCHE
SCHEMBL17860797 0.78 MAPT (0.41) ALDH1A1ABCB1
SCHEMBL17863953 0.78 MAPT (0.41) ALDH1A1ABCB1
SCHEMBL5492148 0.75 MAPT (0.48) ABCB1BCHE
SCHEMBL7152559 0.75 ABCB1 (0.43) ALDH1A1ABCB1BCHE
SCHEMBL5492143 0.75 MAPT (0.48) ABCB1BCHE

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-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-06-07 — — 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-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 ALDH1A1 2737/4885ABCB1 1275/4885BCHE 3976/4885

“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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