SCHEMBL16626137

SCHEMBL16626137

N#Cc1ccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.76
CYP3A4 P08684 2/20 0.50
CYP3A5 P20815 2/20 0.50
PTPN5 P54829 1/20 0.46
CYP19A1 P11511 5/20 0.44
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43
VNN1 O95497 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL524351 0.93 KIF11 (0.86) KIF11CYP3A4CYP3A5PTPN5CYP19A1
Hydrochloric Acid SCHEMBL27812058 0.91 KIF11 (0.83) KIF11CYP3A4CYP3A5PTPN5CYP19A1
SCHEMBL13063632 0.86 KIF11 (1.00) KIF11CYP3A4CYP3A5PTPN5CYP19A1
SCHEMBL3456838 0.86 KIF11 (1.00) KIF11CYP3A4CYP3A5PTPN5CYP19A1
SCHEMBL11623557 0.84 KIF11 (0.55) KIF11CYP3A4CYP3A5PTPN5CYP19A1
SCHEMBL2853329 0.84 KIF11 (0.59) KIF11CYP3A4CYP3A5PTPN5CYP19A1
SCHEMBL17943228 0.83 CYP2A6 (0.67) KIF11CYP3A4CYP3A5PTPN5CYP19A1
SCHEMBL27284292 0.82 KIF11 (0.57) KIF11CYP3A4CYP3A5PTPN5CYP19A1
SCHEMBL11039193 0.81 KIF11 (0.68) KIF11CYP3A4CYP3A5PTPN5CYP19A1
SCHEMBL31739219 0.81 KIF11 (0.68) KIF11CYP3A4CYP3A5PTPN5CYP19A1

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 KIF11 1977/4885CYP3A4 1613/4885CYP3A5 2206/4885

“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.