SCHEMBL16626116

SCHEMBL16626116

FC(F)(F)c1ccc(C(F)(F)C(F)(F)c2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KIF11 P52732 4/20 0.42
CYP2A6 P11509 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
AHR P35869 1/20 0.40
GSK3B P49841 2/20 0.39
PTPN1 P18031 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL8909 0.92 TRPV1 (0.50) TRPV1CA1CA2CA5ACA9
SCHEMBL21791779 0.92 CA1 (0.50) TRPV1CA1CA2CA5ACA9
SCHEMBL1729090 0.89 TRPV1 (0.48) TRPV1CA1CA2CA5ACA9
SCHEMBL16626100 0.86 ALDH1A1 (0.56) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL2841466 0.84 KIF11 (0.61) TRPV1CA1CA2CA5ACA9
Bromobenzene SCHEMBL28432577 0.82 ALDH1A1 (0.62) TRPV1CA1CA2CA5ACA9
SCHEMBL11625337 0.82 ALDH1A1 (0.48) CA1CA2CA5ACA9ALDH1A1
SCHEMBL5239662 0.81 CA1 (0.46) TRPV1CA1CA2CA5ACA9
SCHEMBL19056952 0.81 CA1 (0.46) TRPV1CA1CA2CA5ACA9
SCHEMBL663302 0.81 CA1 (0.46) TRPV1CA1CA2CA5ACA9

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 TRPV1 3144/4885CA1 398/4885CA2 871/4885

“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.