SCHEMBL21454579

SCHEMBL21454579

Cn1c2ccccc2c2cc(C(F)(F)F)ccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.81
GPR3 P46089 1/20 0.57
NPY5R Q15761 1/20 0.56
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PGR P06401 2/20 0.52
NR1H3 Q13133 1/20 0.52
SRC P12931 1/20 0.47
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.42
HRH1 P35367 1/20 0.42
HTR6 P50406 1/20 0.42
RORA P35398 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
SCHEMBL13383054 0.91 KIF11 (0.65) KIF11GPR3NPY5RKDM4EMAPT
SCHEMBL21454578 0.89 KIF11 (1.00) KIF11GPR3NPY5RKDM4EMAPT
SCHEMBL2604375 0.85 GPR3 (0.61) KIF11GPR3NPY5RKDM4EMAPT
SCHEMBL27857916 0.83 PGR (0.74) KIF11NPY5RMAPTPGRNR1H3
SCHEMBL20848600 0.82 KIF11 (0.60) KIF11GPR3NPY5RKDM4EMAPT
SCHEMBL12354899 0.82 KIF11 (0.57) KIF11NPY5RKDM4EMAPTMEN1
SCHEMBL21304002 0.81 NPY5R (0.59) KIF11NPY5RMAPTMEN1ALDH1A1
SCHEMBL16441271 0.80 KIF11 (0.57) KIF11NPY5RKDM4EMAPTHTT
SCHEMBL13232708 0.79 GPR3 (0.53) KIF11GPR3NPY5RKDM4EMAPT
SCHEMBL21357024 0.79 KIF11 (0.56) KIF11GPR3NPY5RKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109516946-B Method for preparing carbazole compound 上海交通大学 2022-01-11 CN disclosed
US-20210143341-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-05-13 US disclosed
WO-2019195104-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2019-10-10 WO disclosed
CN-109516946-A A method of preparing carbazole compound 上海交通大学 2019-03-26 CN 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-20210143341-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE OR51E2, OR10J3, RER1 KIF11 2635/4885GPR3 2044/4885NPY5R 1333/4885

“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.