SCHEMBL4860052

SCHEMBL4860052

FC(F)(F)COCCOCCOCCOCCOCCOCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 3/20 0.50
NAAA Q02083 1/20 0.49
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
TACR1 P25103 1/20 0.41
CA1 P00915 1/20 0.40
LTA4H P09960 1/20 0.39
IDO1 P14902 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL23227891 1.00 TSHR (0.52) TSHRALDH1A1NAAAKDM4EPOLB
SCHEMBL5349731 1.00 TSHR (0.52) TSHRALDH1A1NAAAKDM4EPOLB
SCHEMBL8743578 0.98 TSHR (0.54) TSHRALDH1A1NAAAKDM4EPOLB
SCHEMBL8157722 0.88 ALDH1A1 (0.61) TSHRALDH1A1KDM4EPOLBTACR1
SCHEMBL8743637 0.85 TSHR (0.52) TSHRALDH1A1NAAAKDM4EPOLB
SCHEMBL27710140 0.83 TSHR (0.74) TSHRNAAAKDM4EPOLBTACR1
SCHEMBL9505432 0.83 TSHR (0.74) TSHRNAAAKDM4EPOLBTACR1
SCHEMBL10895400 0.83 TSHR (0.74) TSHRNAAAKDM4EPOLBTACR1
SCHEMBL4608747 0.83 TSHR (0.74) TSHRNAAAKDM4EPOLBTACR1
SCHEMBL26189828 0.83 TSHR (0.74) TSHRNAAAKDM4EPOLBTACR1

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 TSHR 2123/4885ALDH1A1 87/4885NAAA 1409/4885
US-20050287076-A1 Compounds for use as surfactants SGMS1, SGMS2, PHOSPHO1 TSHR 4053/4885ALDH1A1 1584/4885NAAA 1498/4885

“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.