SCHEMBL4855587

SCHEMBL4855587

OCCOCCOCCOCCOCCOCCOCC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL599910 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL5359167 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL39142 0.95
Flurothyl SCHEMBL1718049 0.92 TSHR (0.56) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL1718051 0.86 CA1 (0.33) MEN1KMT2AHTTALDH1A1EPHX2
SCHEMBL19946674 0.86 CA1 (0.33) MEN1KMT2AHTTALDH1A1EPHX2
SCHEMBL19946677 0.86 CA1 (0.33) MEN1KMT2AHTTALDH1A1EPHX2
SCHEMBL26110987 0.86 CA1 (0.33) MEN1KMT2AHTTALDH1A1EPHX2
SCHEMBL1591167 0.83 CA1 (0.35) HTTALDH1A1EPHX2
SCHEMBL9588443 0.81 MEN1 (0.32) MEN1KMT2AEPHX2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354966-B2 Non-fluorinated or low fluorine content internal salts of glycerol 2-aminoethyl phosphates; use in aerosols for inhalants for treating asthma, chronic obstructive pulmonary disease and rhinitis GLAXO GROUP LIMITED (GB) 2008-04-08 US disclosed
US-7217409-B2 Alkanoic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed
US-20050287076-A1 Compounds for use as surfactants GLAXO GROUP LIMITED (GB) 2005-12-29 US disclosed
EP-1480990-B1 COMPOUNDS FOR USE AS SURFACTANTS GLAXO GROUP LTD (GB) 2005-11-09 EP disclosed
EP-1480990-A1 COMPOUNDS FOR USE AS SURFACTANTS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
US-20040067202-A1 Novel alkanoic acid derivaties GLAXO GROUP LIMITED (GB) 2004-04-08 US disclosed
WO-2003074537-A1 COMPOUNDS FOR USE AS SURFACTANTS GLAXO GROUP LIMITED (GB) 2003-09-12 WO disclosed
EP-1318973-A2 NOVEL ALKANOIC ACID DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-18 EP disclosed
WO-2002024623-A2 NOVEL ALKANOIC ACID DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-03-28 WO 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 (2 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-20040067202-A1 Novel alkanoic acid derivaties ALK, FFAR1, FFAR3 MEN1 2802/4885KMT2A 3498/4885TSHR 2123/4885
US-20050287076-A1 Compounds for use as surfactants SGMS1, SGMS2, PHOSPHO1 MEN1 1162/4885KMT2A 4777/4885TSHR 4053/4885

“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.