SCHEMBL21080980

SCHEMBL21080980

CCOCCOCCOC1O[C@H](CO)[C@H](O)[C@H](OCCOCCOCC)[C@H]1OCCOCCOCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ LGALS3 P17931 2/20 0.39
▸ LGALS8 O00214 3/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LGALS4 P56470 1/20 0.36
▸ IGF2R P11717 2/20 0.36
▸ CD209 Q9NNX6 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TNF P01375 1/20 0.34

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
SCHEMBL21080960 0.91 LGALS3 (0.43) MAPK1LGALS3LGALS8CA1CA2
SCHEMBL21080958 0.88 MAPK1 (0.44) MAPK1LGALS3LGALS8SLC2A1CA1
SCHEMBL21080969 0.88 LGALS3 (0.35) MAPK1LGALS3LGALS8CA1CA2
SCHEMBL21080974 0.86 MAPK1 (0.51) MAPK1LGALS3LGALS8SLC2A1LGALS4
SCHEMBL25484566 0.84 GAA (0.48) MAPK1LGALS3LGALS8LGALS4
SCHEMBL17297124 0.84 GAA (0.48) MAPK1LGALS3LGALS8LGALS4
SCHEMBL17339700 0.84 GAA (0.48) MAPK1LGALS3LGALS8LGALS4
SCHEMBL30232030 0.84 GAA (0.48) MAPK1LGALS3LGALS8LGALS4
SCHEMBL24531345 0.84 GAA (0.48) MAPK1LGALS3LGALS8LGALS4
SCHEMBL18769744 0.84 GAA (0.48) MAPK1LGALS3LGALS8LGALS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336966-B2 Fragrance compositions and uses thereof THE PROCTER & GAMBLE COMPANY (US) 2019-07-02 — — US claimed
US-20210393506-A1 FRAGRANCE BLENDS AND METHODS FOR PREPARATION THEREOF JPMORGAN CHASE BANK, N.A. 2021-12-23 — — 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-10336966-B2 Fragrance compositions and uses thereof CUTA, DPM1, PLIN5 MAPK1 4405/4885LGALS3 3147/4885LGALS8 2078/4885

“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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