SCHEMBL5350641

SCHEMBL5350641

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.45
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
MIF P14174 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
IDO1 P14902 1/20 0.35
AHR P35869 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL497772 0.85 ESR1 (0.41) TSHRCES2CES1
SCHEMBL608968 0.78 ESR1 (0.56) CYP19A1LMNACYP2A6MEN1KMT2A
SCHEMBL3671356 0.78 CYP19A1 (0.45) CYP19A1LMNACYP2A6MEN1KMT2A
SCHEMBL196588 0.77 CYP19A1 (0.55) CYP19A1LMNACYP2A6MEN1KMT2A
SCHEMBL5401000 0.77 LMNA (0.50) CYP19A1LMNACYP2A6MEN1KMT2A
SCHEMBL28777340 0.77 CYP19A1 (0.55) CYP19A1LMNACYP2A6MEN1KMT2A
SCHEMBL809832 0.77 LMNA (0.50) CYP19A1LMNACYP2A6MEN1KMT2A
SCHEMBL3678693 0.76 TSHR (0.61) CYP19A1LMNACYP2A6MEN1KMT2A
SCHEMBL12869567 0.74 LMNA (0.47) CYP19A1LMNACYP2A6MEN1KMT2A
Phosphine SCHEMBL28854143 0.74 CYP19A1 (0.53) CYP19A1LMNACYP2A6MEN1KMT2A

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
CN-101796016-A New method and compound SYNGENTA PARTICIPATIONS AG 2010-08-04 CN disclosed
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 EP 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 (2 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 CYP19A1 308/4885LMNA 2317/4885CYP2A6 161/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 CYP19A1 600/4885LMNA 2634/4885CYP2A6 167/4885

“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.