SCHEMBL21080969

SCHEMBL21080969

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 3/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ LGALS8 O00214 2/20 0.33
▸ LGALS4 P56470 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ SSTR1 P30872 1/20 0.31
▸ SSTR2 P30874 1/20 0.31
▸ SSTR4 P31391 1/20 0.31
▸ SSTR3 P32745 1/20 0.31
▸ SSTR5 P35346 1/20 0.31
▸ GJB2 P29033 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
SCHEMBL21080957 0.88 TSHR (0.39) LGALS3MAPK1LGALS8LGALS4SSTR1
SCHEMBL21080980 0.88 MAPK1 (0.40) LGALS3MAPK1LGALS8LGALS4CA1
SCHEMBL18297794 0.87 SSTR4 (0.40) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18297843 0.85 MEN1 (0.45) LGALS3MAPK1LGALS8LGALS4SSTR1
SCHEMBL21080960 0.84 LGALS3 (0.43) LGALS3MAPK1LGALS8LGALS4CA1
SCHEMBL16079127 0.80 MAPK1 (0.44) LGALS3MAPK1LGALS8LGALS4GJB2
SCHEMBL18733408 0.80 MAPK1 (0.44) LGALS3MAPK1LGALS8LGALS4GJB2
SCHEMBL17300176 0.80 MAPK1 (0.44) LGALS3MAPK1LGALS8LGALS4GJB2
SCHEMBL12819629 0.80 MAPK1 (0.44) LGALS3MAPK1LGALS8LGALS4GJB2
SCHEMBL18333048 0.80 MAPK1 (0.44) LGALS3MAPK1LGALS8LGALS4GJB2

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 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.

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