SCHEMBL16626115

SCHEMBL16626115

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
SRD5A2 P31213 1/20 0.34
GSK3B P49841 2/20 0.33
PTPN1 P18031 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MLYCD O95822 1/20 0.31
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
NR4A3 Q92570 1/20 0.31
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30

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
SCHEMBL19522145 0.89 CES2 (0.33) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL20878712 0.89 CES2 (0.35) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL16626114 0.88 PDE2A (0.42) CES2CES1
SCHEMBL14321470 0.85 CES2 (0.56) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL16626123 0.82 CES2 (0.39) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL16453537 0.81 ESR1 (0.54) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL13048611 0.81 CES2 (0.37) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL726750 0.81 CES2 (0.32) CES2CES1TSHR
SCHEMBL16626121 0.80 CES2 (0.34) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL16626120 0.79 CES2 (0.33) CES2CES1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CES2 1223/4885CES1 3429/4885SRD5A2 1542/4885

“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.