SCHEMBL16626263

SCHEMBL16626263

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
AHR P35869 1/20 0.47
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KIF11 P52732 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
P2RX3 P56373 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
KCNH2 Q12809 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CNR2 P34972 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 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
SCHEMBL5401000 0.92 LMNA (0.50) CYP19A1AHRTSHRMEN1KMT2A
SCHEMBL196588 0.92 CYP19A1 (0.55) CYP19A1AHRTSHRALDH1A1KIF11
SCHEMBL28777340 0.92 CYP19A1 (0.55) CYP19A1AHRTSHRALDH1A1KIF11
Water SCHEMBL28260933 0.89 CYP19A1 (0.53) CYP19A1AHRTSHRALDH1A1KIF11
Phosphine SCHEMBL28854143 0.89 CYP19A1 (0.53) CYP19A1AHRTSHRALDH1A1KIF11
Hydrogen Sulfide SCHEMBL28292229 0.89 CYP19A1 (0.53) CYP19A1AHRTSHRALDH1A1KIF11
Water SCHEMBL28855946 0.89 CYP19A1 (0.53) CYP19A1AHRTSHRALDH1A1KIF11
SCHEMBL27896762 0.89 CYP19A1 (0.53) CYP19A1AHRTSHRALDH1A1KIF11
Chloromethane SCHEMBL27654434 0.89 CYP19A1 (0.53) CYP19A1AHRTSHRALDH1A1KIF11
SCHEMBL16626100 0.86 ALDH1A1 (0.56) TSHRALDH1A1KIF11CES2CES1

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 CYP19A1 860/4885AHR 3724/4885TSHR 405/4885

“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.