SCHEMBL19903572

SCHEMBL19903572

N#Cc1cc(F)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
XDH P47989 1/20 0.43
RXRA P19793 1/20 0.42
RXRG P48443 1/20 0.42
IKBKB O14920 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 1/20 0.37
CYP1A2 P05177 1/20 0.37
METAP2 P50579 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KCNH2 Q12809 1/20 0.35
CES2 O00748 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
EGLN2 Q96KS0 2/20 0.34
TAS2R14 Q9NYV8 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
SCHEMBL19912365 0.89 NOTUM (0.40) KIF11XDHRXRARXRGIKBKB
SCHEMBL1334073 0.80 KIF11 (0.52) KIF11XDHRXRARXRGCTSS
SCHEMBL26457729 0.76 RXRA (0.48) KIF11XDHRXRARXRGCTSS
SCHEMBL14148808 0.76 KIF11 (0.41) KIF11XDHRXRARXRGIKBKB
SCHEMBL25983036 0.75 KIF11 (0.52) KIF11XDHRXRARXRGCYP1A2
SCHEMBL17711112 0.74 CTSS (0.37) KIF11XDHRXRARXRGIKBKB
SCHEMBL19903512 0.73 TRPV4 (0.47) KIF11RXRARXRGCYP11B1CYP11B2
SCHEMBL17514949 0.73 EGLN2 (0.36) KIF11CYP11B1CYP11B2EGLN2
SCHEMBL8388339 0.73 IKBKB (0.42) XDHIKBKBCYP11B1CYP11B2CTSS
SCHEMBL18001587 0.73 RXRA (0.55) KIF11XDHRXRARXRGCYP11B1

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 KIF11 3253/4885XDH 91/4885RXRA 3779/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885XDH 68/4885RXRA 3635/4885

“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.