SCHEMBL16626105

SCHEMBL16626105

COc1ccc(C(=O)C(F)(F)C(F)(F)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.53
CES2 O00748 2/20 0.53
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 3/20 0.45
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSPD1 P10809 1/20 0.44
TNFRSF1A P19438 1/20 0.44
HSPE1 P61604 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
SCHEMBL16158157 0.84 CES1 (0.56) CES1CES2CA1CA2KDM4E
SCHEMBL16147101 0.78 CES1 (0.56) CES1CES2CA1CA2KDM4E
SCHEMBL9618568 0.78 CES1 (0.77) CES1CES2CA1CA2KDM4E
SCHEMBL7705952 0.78 CES1 (0.56) CES1CES2CA1CA2KDM4E
SCHEMBL16626130 0.77 CA4 (0.54) CES1CES2CA1CA2
SCHEMBL1398393 0.76 CES1 (0.59) CES1CES2CA1CA2KDM4E
SCHEMBL17080312 0.76 CES1 (0.58) CES1CES2CA1CA2KDM4E
SCHEMBL16147948 0.75 CES2 (0.53) CES1CES2CA1CA2KDM4E
SCHEMBL22116187 0.74 CES2 (0.57) CES1CES2CA1CA2RAB9A
SCHEMBL29035966 0.74 CES2 (0.57) CES1CES2CA1CA2RAB9A

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 8 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-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 CES1 3429/4885CES2 1223/4885CA1 398/4885

“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.