SCHEMBL106447

SCHEMBL106447

Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TPMT P51580 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
SLC7A5 Q01650 2/20 0.40
CNR2 P34972 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
ATM Q13315 1/20 0.37
SRD5A1 P18405 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL16406592 0.96 TPMT (0.48) CYP2C19CYP2C9NPSR1TPMTCA12
SCHEMBL25708271 0.92 TPMT (0.57) CYP2C19CYP2C9NPSR1TPMTCA12
SCHEMBL7058435 0.91 CA12 (0.47) CYP2C19CYP2C9NPSR1CA12CA1
SCHEMBL16518349 0.87 NOTUM (0.42) CYP2C19CYP2C9NPSR1TPMTCA12
SCHEMBL17747120 0.83 CA1 (0.54) CA12CA1CA2CA9CA14
SCHEMBL3403399 0.83 TPMT (0.43) CYP2C19CYP2C9TPMTCA12CA1
SCHEMBL6577887 0.83 TPMT (0.43) CYP2C19CYP2C9TPMTCA12CA1
SCHEMBL4530957 0.83 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL15681471 0.81 ELANE (0.44) CYP2C19CYP2C9NPSR1CA12CA1
SCHEMBL8122251 0.81 CA12 (0.45) CA12CA1CA2CA9CA14

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 246 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157128-A1 SILICON-FLUORIDE ACCEPTOR SUBSTITUTED RADIOPHARMACEUTICALS AND PRECURSORS THEREOF Technische Universität München (DE) 2020-08-06 WO disclosed
US-10031419-B2 Pattern forming method, composition kit and resist film, manufacturing method of electronic device using these, and electronic device FUJIFILM CORPORATION (JP) 2018-07-24 US disclosed
US-9915870-B2 Pattern forming method, composition kit and resist film, and method for producing electronic device using them, and electronic device FUJIFILM CORPORATION (JP) 2018-03-13 US disclosed
US-20180051149-A1 HARDCOAT FILM, POLARIZING PLATE, AND TOUCH PANEL DISPLAY FUJIFILM CORPORATION (JP) 2018-02-22 US disclosed
US-9897922-B2 Method of forming pattern and developer for use in the method FUJIFILM CORPORATION (JP) 2018-02-20 US disclosed
US-9835945-B2 Positive resist composition and method of pattern formation with the same FUJIFILM CORPORATION (JP) 2017-12-05 US disclosed
US-9829796-B2 Pattern formation method, active light-sensitive or radiation-sensitive resin composition, resist film, production method for electronic device using same, and electronic device FUJIFILM CORPORATION (JP) 2017-11-28 US disclosed
US-20170285482-A1 ORGANIC PROCESSING LIQUID AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
US-9766547-B2 Pattern forming method, actinic ray-sensitive or radiation-sensitive resin composition, resist film, method of manufacturing electronic device using the same, and electronic device FUJIFILM CORPORATION (JP) 2017-09-19 US disclosed
US-9760003-B2 Pattern forming method and actinic-ray- or radiation-sensitive resin composition FUJIFILM CORPORATION (JP) 2017-09-12 US disclosed
US-20110014570-A1 RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed
US-20110008731-A1 ACTINIC-RAY-OR RADIATION-SENSITIVE RESIN COMPOSITION, COMPOUND AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-13 US disclosed
US-20100015554-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
EP-1141335-B1 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INT (US) 2009-08-05 EP disclosed
US-7371553-B2 Chemically modified enzymes with multiple charged variants GENENCOR INTERNATIONAL, INC. (US) 2008-05-13 US disclosed
US-20050089966-A1 Chemically modified enzymes with multiple charged variants DAVID BENJAMIN G (GB) 2005-04-28 US disclosed
US-20020127695-A1 Chemically modified enzymes with multiple charged variants GENENCOR INTERNATIONAL, INC. 2002-09-12 US disclosed
US-6379942-B1 SUBTILISIN ENZYME, WITH CYSTEINE RESIDUES AT GIVE AMINO ACID SEQUENCE POSITIONS, WHERE THE THIOL HYDROGEN IN THE CYSTEINE RESIDUE IS REPLACED, PROVIDING A SIDE CHAIN IWTH A MULTIPLY CHARGED MOIETY; DETERGENTS GENENCOR INTERNATIONAL, INC. 2002-04-30 US disclosed
EP-1141335-A2 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INTERNATIONAL, INC. (US) 2001-10-10 EP disclosed
WO-2000037658-A2 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INTERNATIONAL, INC. (US) 2000-06-29 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 (1 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-20110008731-A1 ACTINIC-RAY-OR RADIATION-SENSITIVE RESIN COMPOSITION, COMPOUND AND METHOD OF FORMING PATTERN USING THE COMPOSITION RER1, XRN2, RXRA CYP2C19 3524/4885CYP2C9 4074/4885NPSR1 1450/4885

“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.