SCHEMBL21080957

SCHEMBL21080957

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GJB2 P29033 2/20 0.35
▸ TNF P01375 1/20 0.34
▸ LGALS3 P17931 2/20 0.34
▸ LGALS8 O00214 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL18297843 0.94 MEN1 (0.45) MAPK1MEN1THRBHTTKMT2A
SCHEMBL18733215 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8
SCHEMBL18333048 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8
SCHEMBL15508089 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8
SCHEMBL17300176 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8
SCHEMBL18733408 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8
SCHEMBL12819629 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8
SCHEMBL16079127 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8
SCHEMBL18030218 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8
SCHEMBL17300175 0.91 MAPK1 (0.44) MAPK1GJB2TNFLGALS3LGALS8

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 1 patent. 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

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 TSHR 4297/4885MAPK1 4405/4885MEN1 3199/4885

“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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