SCHEMBL812922

SCHEMBL812922

O[C@@H]1CCCCCC[C@H]1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
TSHR P16473 1/20 0.37
SLC18A3 Q16572 3/20 0.34
GSR P00390 2/20 0.33
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL15352257 1.00 CA1 (0.41) CA1CA2CA4TSHRSLC18A3
SCHEMBL812921 1.00 CA1 (0.41) CA1CA2CA4TSHRSLC18A3
SCHEMBL811844 1.00 CA1 (0.41) CA1CA2CA4TSHRSLC18A3
SCHEMBL15351364 1.00
SCHEMBL16925426 1.00
SCHEMBL812923 1.00 CA1 (0.41) CA1CA2CA4TSHRSLC18A3
SCHEMBL15352397 1.00 CA1 (0.41) CA1CA2CA4TSHRSLC18A3
SCHEMBL15351390 1.00 CA1 (0.41) CA1CA2CA4TSHRSLC18A3
SCHEMBL15723399 0.97
SCHEMBL21522 0.97

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 12 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
CN-100432086-C Fluorination process MITSUBISHI GAS CHEMICAL CO (JP) 2008-11-12 CN 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
CN-1974588-A Fluorination process MITSUBISHI GAS CHEMICAL CO (JP) 2007-06-06 CN disclosed
US-20060014972-A1 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-01-19 US disclosed
CN-1720256-A Fluorination process MITSUBISHI GAS CHEMICAL CO (JP) 2006-01-11 CN 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 CA1 315/4885CA2 1904/4885CA4 1131/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB CA1 315/4885CA2 1904/4885CA4 1131/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB CA1 315/4885CA2 1904/4885CA4 1131/4885

“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.