SCHEMBL21080958

SCHEMBL21080958

CCCCOCCOCCOC1O[C@H](CO)[C@@H](O)[C@H](OCCOCCOCCCC)[C@H]1OCCOCCOCCCC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ TNF P01375 1/20 0.43
▸ GBA1 P04062 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ LGALS3 P17931 2/20 0.38
▸ LGALS8 O00214 1/20 0.38
▸ LGALS4 P56470 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ GJB2 P29033 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21080974 0.94 MAPK1 (0.51) MAPK1TNFGBA1SLC2A1LGALS3
SCHEMBL21080956 0.91 MAPK1 (0.47) MAPK1GBA1LGALS3LGALS8LGALS4
SCHEMBL14413981 0.91 MAPK1 (0.51) MAPK1TNFGBA1SLC2A1LGALS3
SCHEMBL21080957 0.88 TSHR (0.39) MAPK1TNFLGALS3LGALS8LGALS4
SCHEMBL21080980 0.88 MAPK1 (0.40) MAPK1TNFSLC2A1LGALS3LGALS8
SCHEMBL14747620 0.86 MAPK1 (0.52) MAPK1TNFGBA1SLC2A1LGALS3
SCHEMBL21080979 0.86 MAPK1 (0.54) MAPK1TNFGBA1LGALS3LGALS8
SCHEMBL14252289 0.85 MAPK1 (0.49) MAPK1LGALS3LGALS8LGALS4L3MBTL1
SCHEMBL30232023 0.85 MAPK1 (0.49) MAPK1LGALS3LGALS8LGALS4L3MBTL1
SCHEMBL28235038 0.85 MAPK1 (0.49) MAPK1LGALS3LGALS8LGALS4L3MBTL1

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 4405/4885TNF 2348/4885GBA1 4298/4885

“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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