SCHEMBL812200

SCHEMBL812200

Cc1ccccc1C(F)(F)N(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
TSHR P16473 2/20 0.36
HSD11B1 P28845 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX7 Q99572 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ESR1 P03372 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA1 P00915 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
SCHEMBL811913 0.77 CA1 (0.41) ACHETSHRMEN1KMT2AMAPT
SCHEMBL19154005 0.75 ACHE (0.45) ACHETSHRHSD11B1GABRA1GABRB2
SCHEMBL3223142 0.74 ALDH1A1 (0.44) TSHRHSD11B1MEN1CYP1A2CYP3A4
SCHEMBL295495 0.73 ACHE (0.35) ACHETSHRHSD11B1L3MBTL1SLC6A2
SCHEMBL11623026 0.72 ACHE (0.47) ACHETSHRHSD11B1GABRA1GABRB2
SCHEMBL29656610 0.72 TSHR (0.47) ACHETSHRHSD11B1L3MBTL1GABRA1
SCHEMBL169124 0.72 TSHR (0.47) ACHETSHRHSD11B1L3MBTL1GABRA1
SCHEMBL25951815 0.72 ACHE (0.47) ACHETSHRHSD11B1GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL1870627 0.70 HSD11B1 (0.45) ACHETSHRHSD11B1L3MBTL1GABRA1
SCHEMBL10034988 0.70 ACHE (0.45) ACHETSHRHSD11B1GABRA1GABRB2

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 ACHE 3090/4885TSHR 2253/4885HSD11B1 2886/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB ACHE 3090/4885TSHR 2253/4885HSD11B1 2886/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB ACHE 3090/4885TSHR 2253/4885HSD11B1 2886/4885

“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.