SCHEMBL5886592

SCHEMBL5886592

CCOC(=O)C(=C(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GPR35 Q9HC97 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GLO1 Q04760 1/20 0.38
CES2 O00748 4/20 0.37
ACHE P22303 4/20 0.37
CES1 P23141 4/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL29074515 0.80 ALDH1A1 (0.45) ALDH1A1CES2CES1HSD17B10TSHR
SCHEMBL22912550 0.79 ALOX15 (0.43) ALDH1A1GPR35NPSR1GLO1CES2
SCHEMBL28881739 0.78 TSHR (0.47) ALDH1A1GPR35MAPTTSHRGAA
SCHEMBL29174417 0.77 TSHR (0.51) NPSR1CES2CES1HSD17B10TSHR
SCHEMBL28461217 0.77 TSHR (0.51) NPSR1CES2CES1HSD17B10TSHR
SCHEMBL28573481 0.77 TSHR (0.51) NPSR1CES2CES1HSD17B10TSHR
SCHEMBL29521567 0.77 THRB (0.39) ALDH1A1GPR35MAPTNPSR1GLO1
SCHEMBL29174385 0.77 TSHR (0.51) NPSR1CES2CES1HSD17B10TSHR
SCHEMBL22912540 0.76 GAA (0.40) ALDH1A1GPR35MAPTNPSR1GLO1
SCHEMBL12763612 0.76 ALDH1A1 (0.71) ALDH1A1GPR35MAPTNPSR1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150491-B2 Bicyclohexane derivative compound and manufacturing method of the same MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2015-10-06 US disclosed
US-8598292-B2 Adamantane derivative, method for producing same, polymer using same as starting material, and resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-12-03 US disclosed
US-20130030211-A1 BICYCLOHEXANE DERIVATIVE COMPOUND AND MANUFACTURING METHOD OF THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-01-31 US disclosed
EP-2524907-A1 BICYCLOHEXANE DERIVATIVE AND PRODUCTION METHOD FOR SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2012-11-21 EP disclosed
US-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2011-12-29 US disclosed
US-7078562-B2 Adamantane derivatives and resin compositions using the same as raw material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-18 US disclosed
US-7067692-B2 Production method of adamantyl acrylate compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-06-27 US disclosed
US-20050158662-A1 Adamantane derivatives and resin compositions using the same as raw material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-07-21 US disclosed
US-20040210082-A1 Production method of adamantyl acrylate compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-10-21 US disclosed
EP-1468981-A1 Production method of adamantyl acrylate compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-10-20 EP disclosed
EP-0428639-B1 STAIN RESISTANT TREATMENT FOR POLYAMIDE FIBERS PEACH STATE LABS INC (US) 1994-08-03 EP disclosed
US-5223340-A Protective coating comprising a copolymer of an acrylic acid or ester and a phenolic resin; discoloration inhibition; protects against Acid Dyes, e.g. wine, mustard, coffee PEACH STATE LABS, INC. (US) 1993-06-29 US disclosed
US-5061763-A POLYMERIZATION OF ALPHA-SUBSTITUTED ACRYLIC ACID OR ESTER IN PRESENCE OF SULFONATED AROMATIC FORMALDEHYDE CONDENSATION POLYMER PEACH STATE LABS, INC. (US) 1991-10-29 US disclosed
EP-0428639-A4 STAIN RESISTANT TREATMENT FOR POLYAMIDE FIBERS 1991-10-02 EP disclosed
EP-0428639-A1 STAIN RESISTANT TREATMENT FOR POLYAMIDE FIBERS. PEACH STATE LABS INC (US) 1991-05-29 EP disclosed
WO-1990012917-A1 STAIN RESISTANT TREATMENT FOR POLYAMIDE FIBERS PEACH STATE LABS, INC. (US) 1990-11-01 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 (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-20040210082-A1 Production method of adamantyl acrylate compounds APEH, CYP51A1, NAAA ALDH1A1 71/4885GPR35 2598/4885MAPT 937/4885
US-20130030211-A1 BICYCLOHEXANE DERIVATIVE COMPOUND AND MANUFACTURING METHOD OF THE SAME DDT, CYP1A2, CYP1B1 ALDH1A1 924/4885GPR35 3065/4885MAPT 2877/4885
US-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION EEF1A1, ADGRF1, ERCC4 ALDH1A1 457/4885GPR35 1242/4885MAPT 1362/4885

“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.