SCHEMBL6116336

SCHEMBL6116336

CCC(C(=O)OC(C)(C)C)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
APLNR P35414 1/20 0.33
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CA7 P43166 1/20 0.31
NOS1 P29475 2/20 0.30
HTT P42858 2/20 0.30
CYP1A2 P05177 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
DGAT1 O75907 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
SCHEMBL6117658 0.84 AAK1 (0.36) TSHRAAK1CA1CA2CTSK
SCHEMBL15672769 0.83 CA1 (0.36) CYP2C9CYP2C19CYP2D6TSHRCA1
SCHEMBL5008363 0.82 MAPK1 (0.40) AAK1CA1CA2CTSKAPLNR
SCHEMBL6116900 0.81 CA2 (0.46) CA1CA2CTSKCTSSCA7
SCHEMBL5184423 0.80 AAK1 (0.36) AAK1APLNRKMT2AMEN1GAA
SCHEMBL5184455 0.80 CYP1A2 (0.38) CYP2C9CYP2C19TSHRCTSKHTT
SCHEMBL6117326 0.80 CA2 (0.41) CA1CA2CTSKKMT2ALMNA
SCHEMBL20096259 0.79 MEN1 (0.40) CYP2C9CYP2C19TSHRCA1CA2
SCHEMBL6117334 0.78 ALDH1A1 (0.40) CYP2C9CYP2C19CYP2D6TSHRCA1
SCHEMBL6117496 0.78 USP2 (0.41) CA1CA2KMT2ALMNACYP1A2

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-9720322-B2 Photoresist composition, compound, and production method thereof JSR CORPORATION (JP) 2017-08-01 US disclosed
US-20160370700-A1 PHOTORESIST COMPOSITION, COMPOUND, AND PRODUCTION METHOD THEREOF JSR CORPORATION (JP) 2016-12-22 US disclosed
US-9477149-B2 Photoresist composition, compound, and production method thereof JSR CORPORATION (JP) 2016-10-25 US disclosed
US-20150004545-A1 PHOTORESIST COMPOSITION, COMPOUND, AND PRODUCTION METHOD THEREOF JSR CORPORATION (JP) 2015-01-01 US disclosed
EP-2460802-B1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME NAGOYA INST TECHNOLOGY (JP) 2014-09-03 EP disclosed
US-8703969-B2 Trifluoromethylthiophenium derivative salt, method for producing the same, and method for producing trifluoromethyl-containing compounds using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2014-04-22 US disclosed
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TOSOH F-TECH, INC. (JP) 2012-05-24 US disclosed
US-7714079-B2 Ultra-large scale integrated (ULSI); film stack; hydrosilation INTERNATIONAL BUSINESS MACHINES CORPORAITON (US) 2010-05-11 US disclosed
US-7714079-B2 Ultra-large scale integrated (ULSI); film stack; hydrosilation INTERNATIONAL BUSINESS MACHINES CORPORAITON (US) 2010-05-11 US disclosed
US-20080063880-A1 Ultra-large scale integrated (ULSI); film stack; hydrosilation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-03-13 US disclosed
US-20080063880-A1 Ultra-large scale integrated (ULSI); film stack; hydrosilation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-03-13 US disclosed
US-7306853-B2 Ultra-large scale integrated interconnect structures; forming via and/or line patterns in a curable caged polysilsesquioxane, curing and filling the patterns with a conductor; combines the functions of a photoresist and a conventional low-k dielectric into a single material INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-12-11 US 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-20160370700-A1 PHOTORESIST COMPOSITION, COMPOUND, AND PRODUCTION METHOD THEREOF RARA, H1-0, NR2E3 CYP2C9 2274/4885CYP2C19 2647/4885CYP2D6 3034/4885
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TST, CBR3, CYP4B1 CYP2C9 23/4885CYP2C19 304/4885CYP2D6 373/4885

“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.