SCHEMBL16626130

SCHEMBL16626130

COc1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.54
LTA4H P09960 2/20 0.52
KIF11 P52732 10/20 0.51
KCNH2 Q12809 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TRPA1 O75762 1/20 0.47
AHR P35869 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL2324555 0.87 CA4 (0.54) CA4LTA4HKIF11KCNH2CA12
SCHEMBL29360224 0.87 CA4 (0.54) CA4LTA4HKIF11KCNH2CA12
SCHEMBL16626095 0.84 RAB9A (0.51) CA12CA1CA2CA7CA9
SCHEMBL11365690 0.83 CA4 (0.50) CA4LTA4HKIF11KCNH2CA12
SCHEMBL12737709 0.83 CA4 (0.50) CA4LTA4HKIF11KCNH2CA12
SCHEMBL17943274 0.83 ACHE (0.65) KIF11CA12CA1CA2CA7
SCHEMBL689878 0.82 CA1 (0.52) KIF11CA12CA1CA2CA7
SCHEMBL14856630 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL1286989 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL8858901 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49222-E1 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2022-09-27 US disclosed
CN-112047913-A Fluorine-containing complex compound and method for producing fluorine-containing organic compound using same 大金工业株式会社 2020-12-08 CN disclosed
CN-111961068-A Fluorine-containing complex compound and method for producing fluorine-containing organic compound using same 大金工业株式会社 2020-11-20 CN disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
WO-2015050236-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME ダイキン工業株式会社 2015-04-09 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-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 CA4 864/4885LTA4H 3942/4885KIF11 1977/4885

“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.