SCHEMBL21080974

SCHEMBL21080974

CCCCCCOCCOCCOC1O[C@H](CO)[C@@H](O)[C@H](OCCOCCOCCCCCC)[C@H]1OCCOCCOCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ TNF P01375 1/20 0.49
▸ GBA1 P04062 1/20 0.47
▸ MEN1 O00255 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ GJB2 P29033 2/20 0.42
▸ LGALS8 O00214 1/20 0.41
▸ LGALS3 P17931 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.39
▸ SPHK1 Q9NYA1 1/20 0.39
▸ GBA2 Q9HCG7 4/20 0.39

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
SCHEMBL21080958 0.94 MAPK1 (0.44) MAPK1TNFGBA1SLC2A1GJB2
SCHEMBL21080979 0.92 MAPK1 (0.54) MAPK1TNFGBA1MEN1THRB
SCHEMBL28276208 0.89 MAPK1 (0.56) MAPK1TNFGBA1SLC2A1GJB2
SCHEMBL28274960 0.89 MAPK1 (0.56) MAPK1TNFGBA1SLC2A1GJB2
SCHEMBL18297843 0.89 MEN1 (0.45) MAPK1TNFGBA1MEN1THRB
SCHEMBL25415166 0.87 MAPK1 (0.60) MAPK1TNFGBA1SLC2A1GJB2
SCHEMBL25414516 0.87 MAPK1 (0.60) MAPK1TNFGBA1SLC2A1GJB2
SCHEMBL25415432 0.87 MAPK1 (0.60) MAPK1TNFGBA1SLC2A1GJB2
SCHEMBL23545823 0.86 MAPK1 (0.56) MAPK1MEN1THRBHTTKMT2A
SCHEMBL21080956 0.86 MAPK1 (0.47) MAPK1GBA1GJB2LGALS8LGALS3

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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