SCHEMBL20364862

SCHEMBL20364862

O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 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
SCHEMBL15147492 1.00 ALDH1A1 (0.33) ALDH1A1ALOX12RAB9ASMN1; SMN2HPGD
SCHEMBL16884595 1.00 ALDH1A1 (0.33) ALDH1A1ALOX12RAB9ASMN1; SMN2HPGD
SCHEMBL23915498 0.98 SMN1; SMN2 (0.31) ALDH1A1ALOX12RAB9ASMN1; SMN2HPGD
SCHEMBL422072 0.89 — —
SCHEMBL15147540 0.89 ALDH1A1 (0.31) ALDH1A1ALOX12SMN1; SMN2HPGD
SCHEMBL19658247 0.87 PSMB8 (0.32) ALOX12
SCHEMBL17776322 0.87 PSMB8 (0.32) ALOX12
SCHEMBL410465 0.87 PSMB8 (0.32) ALOX12
SCHEMBL19658254 0.87 PSMB8 (0.32) ALOX12
SCHEMBL17776321 0.87 PSMB8 (0.32) ALOX12

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-20180193478-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE EISAI INC. 2018-07-12 — — 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-20180193478-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE FOLR1, FOLR2, TUBB1 ALDH1A1 2699/4885ALOX12 4373/4885RAB9A 1069/4885

“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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