SCHEMBL10099607

SCHEMBL10099607

O=C(CCC(=O)OCCOCCOC(=O)CCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL10031760 0.96 MEN1 (0.31) ALDH1A1ALOX12
SCHEMBL13041856 0.89 ADRA2A (0.33) ALOX12
SCHEMBL126873 0.89 ADRA2A (0.33) ALOX12
SCHEMBL16884595 0.87 ALDH1A1 (0.33) ALDH1A1ALOX12
SCHEMBL20364862 0.87 ALDH1A1 (0.33) ALDH1A1ALOX12
SCHEMBL15147492 0.87 ALDH1A1 (0.33) ALDH1A1ALOX12
SCHEMBL17069547 0.87 — —
SCHEMBL23915498 0.86 SMN1; SMN2 (0.31) ALDH1A1ALOX12
SCHEMBL15147540 0.85 ALDH1A1 (0.31) ALDH1A1ALOX12
SCHEMBL141048 0.84 ADRA2A (0.36) ALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 — — US disclosed
US-20130131013-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-05-23 — — US disclosed
US-8110179-B2 Cyclodextrin-based polymers for therapeutics delivery CERULEAN PHARMA INC. (US) 2012-02-07 — — 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-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC ALDH1A1 2989/4885ALOX12 3900/4885

“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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