SCHEMBL21906781

SCHEMBL21906781

C=CCOCCCOC(=O)CCC(C(N)=O)N1Cc2c(O)cccc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CRBN Q96SW2 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL17347665 0.85 MEN1 (0.36) NPC1RAB9A
SCHEMBL19532862 0.81 NPC1 (0.34) CRBNNPC1RAB9A
SCHEMBL20786103 0.80 NPC1 (0.35) CRBNNPC1RAB9A
SCHEMBL29388571 0.80 NPC1 (0.40) CRBNNPC1RAB9A
SCHEMBL29471925 0.80 NPC1 (0.40) CRBNNPC1RAB9A
SCHEMBL2248688 0.80 NPC1 (0.40) CRBNNPC1RAB9A
SCHEMBL2250757 0.79 ALDH1A1 (0.40) NPC1RAB9A
SCHEMBL19603297 0.79 ALDH1A1 (0.40) NPC1RAB9A
SCHEMBL29790770 0.79 ALDH1A1 (0.40) NPC1RAB9A
Formic Acid SCHEMBL19630437 0.78 NPC1 (0.37) NPC1RAB9A

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-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 — — 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-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 NPSR1 2872/4885CRBN 5/4885NPC1 2550/4885

“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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