SCHEMBL812415

SCHEMBL812415

Cc1ccccc1C(=O)OCCF

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL17797782 0.89 TSHR (0.66) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL2655059 0.87 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL28866385 0.86 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL29860709 0.85 TSHR (0.65) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL14984028 0.85 TSHR (0.68) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL17681654 0.85 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL28237720 0.84 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL8433421 0.84 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL17797867 0.84 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL16049266 0.84 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1MEN1

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-7968751-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-06-28 US disclosed
US-7892518-B2 fluorinating a specific position of a saccharide substrate selectively without affecting a protective group at a temperature within a wide range safely and easily with N, N-diethyl-alpha, alpha-difluoro(3-methyl)benzylamine a fluorinating agent under irradiation with microwave or electromagnetic wave MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-02-22 US disclosed
EP-2189467-A2 Method of fluorination by microwaves Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 EP disclosed
EP-2189466-A2 METHOD OF FLUORINATION BY MICROWAVES Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 EP disclosed
US-20080319228-A1 Method of fluorination HARA SHOJI 2008-12-25 US disclosed
US-20080154064-A1 Method of fluorination HARA SHOJI 2008-06-26 US disclosed
US-7351863-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-01 US disclosed
US-20060014972-A1 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-01-19 US disclosed
EP-1568703-A1 METHOD OF FLUORINATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-31 EP 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 (3 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-20080154064-A1 Method of fluorination FUCA2, FABP2, FGB ALDH1A1 1770/4885TSHR 2253/4885TDP1 4196/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB ALDH1A1 1770/4885TSHR 2253/4885TDP1 4196/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB ALDH1A1 1770/4885TSHR 2253/4885TDP1 4196/4885

“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.