SCHEMBL21080960

SCHEMBL21080960

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LGALS8 O00214 2/20 0.42
▸ LGALS4 P56470 2/20 0.42
▸ IGF2R P11717 2/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CD209 Q9NNX6 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21080980 0.91 MAPK1 (0.40) LGALS3MAPK1LGALS8LGALS4IGF2R
SCHEMBL21080956 0.88 MAPK1 (0.47) LGALS3MAPK1LGALS8LGALS4IGF2R
SCHEMBL30232030 0.88 GAA (0.48) LGALS3MAPK1LGALS8LGALS4L3MBTL1
SCHEMBL17339700 0.88 GAA (0.48) LGALS3MAPK1LGALS8LGALS4L3MBTL1
SCHEMBL24531345 0.88 GAA (0.48) LGALS3MAPK1LGALS8LGALS4L3MBTL1
SCHEMBL25484566 0.88 GAA (0.48) LGALS3MAPK1LGALS8LGALS4L3MBTL1
SCHEMBL17297124 0.88 GAA (0.48) LGALS3MAPK1LGALS8LGALS4L3MBTL1
SCHEMBL18769744 0.88 GAA (0.48) LGALS3MAPK1LGALS8LGALS4L3MBTL1
SCHEMBL21080979 0.86 MAPK1 (0.54) LGALS3MAPK1LGALS8LGALS4MEN1
SCHEMBL8160009 0.86 GAA (0.49) LGALS3MAPK1LGALS8LGALS4L3MBTL1

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-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
WO-2020097181-A9 FRAGRANCE BLENDS AND METHODS FOR PREPARATION THEREOF COTY INC. (US) 2021-01-14 — — WO 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 LGALS3 3147/4885MAPK1 4405/4885LGALS8 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.

Send feedback