SCHEMBL20809138

SCHEMBL20809138

FC(F)(F)CCc1ccc2nc(-c3ccccc3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KCNH2 Q12809 11/20 0.42
HRH3 Q9Y5N1 11/20 0.42
MET P08581 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PSMB5 P28074 1/20 0.39
NPC1 O15118 2/20 0.37
AR P10275 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL20809323 0.90 RAB9A (0.38) MAOAMAOBMETNPC1AR
SCHEMBL20809135 0.85 KCNH2 (0.39) KCNH2HRH3METPSMB5
SCHEMBL20809322 0.83 KCNH2 (0.38) KCNH2HRH3
SCHEMBL20809049 0.78 MAOA (0.40) MAOAMAOBKCNH2HRH3MET
SCHEMBL11814702 0.77 MAOA (0.47) MAOAMAOBKCNH2HRH3MET
SCHEMBL31038113 0.77 CYP1A2 (0.52) MAOAMAOBKCNH2HRH3ESR1
SCHEMBL20809063 0.77 PSMB5 (0.44) MAOAMAOBKCNH2HRH3MET
SCHEMBL20809324 0.76 SDHB (0.38) METNPC1RAB9A
SCHEMBL11809457 0.75 MAOA (0.45) MAOAMAOBKCNH2HRH3MET
SCHEMBL26613402 0.74 BACE1 (0.56) MAOAMAOBKCNH2HRH3MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10957869-B2 Organic luminescent materials containing cycloalkyl ancillary ligands Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-03-23 US disclosed
US-20190103574-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING CYCLOALKYL ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-04-04 US disclosed
US-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-03-14 US 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 (3 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-20190103574-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING CYCLOALKYL ANCILLARY LIGANDS ACAT1, ACACA, ACAT2 MAOA 121/4885MAOB 285/4885KCNH2 712/4885
US-10957869-B2 Organic luminescent materials containing cycloalkyl ancillary ligands ACAT1, ACACA, ACAT2 MAOA 121/4885MAOB 285/4885KCNH2 712/4885
US-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS FOXO1, NAA15, FOXK1 MAOA 22/4885MAOB 42/4885KCNH2 573/4885

“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.