SCHEMBL21080979

SCHEMBL21080979

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.54
▸ GBA1 P04062 2/20 0.47
▸ LGALS3 P17931 2/20 0.47
▸ LGALS8 O00214 1/20 0.47
▸ LGALS4 P56470 1/20 0.47
▸ GJB2 P29033 4/20 0.44
▸ 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
▸ TNF P01375 1/20 0.41
▸ CETP P11597 1/20 0.41

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
SCHEMBL21080956 0.94 MAPK1 (0.47) MAPK1GBA1LGALS3LGALS8LGALS4
SCHEMBL21080974 0.92 MAPK1 (0.51) MAPK1GBA1LGALS3LGALS8LGALS4
SCHEMBL546864 0.90 MAPK1 (0.60) MAPK1GBA1LGALS3LGALS8LGALS4
SCHEMBL23545823 0.89 MAPK1 (0.56) MAPK1LGALS3LGALS8LGALS4GJB2
SCHEMBL12908201 0.89 MAPK1 (0.56) MAPK1LGALS3LGALS8LGALS4GJB2
SCHEMBL30231904 0.89 MAPK1 (0.56) MAPK1LGALS3LGALS8LGALS4GJB2
SCHEMBL8370478 0.89 MAPK1 (0.60) MAPK1GBA1LGALS3LGALS8LGALS4
SCHEMBL19498843 0.89 MAPK1 (0.56) MAPK1LGALS3LGALS8LGALS4GJB2
SCHEMBL927214 0.89 MAPK1 (0.56) MAPK1LGALS3LGALS8LGALS4GJB2
SCHEMBL28862276 0.89 MAPK1 (0.56) MAPK1LGALS3LGALS8LGALS4GJB2

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 4405/4885GBA1 4298/4885LGALS3 3147/4885

“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