SCHEMBL21546628

SCHEMBL21546628

N#Cc1cccc(-c2c(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)cc(C#N)cc2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
MAT2A P31153 1/20 0.39
CETP P11597 1/20 0.38
PTPN5 P54829 1/20 0.38
CYP2C9 P11712 1/20 0.37
SCN9A Q15858 1/20 0.37
RORC P51449 1/20 0.36
PDK2 Q15119 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ENPP1 P22413 1/20 0.35
TRPA1 O75762 1/20 0.35
KIF11 P52732 1/20 0.34
AR P10275 2/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL21547195 0.96 PTGDR2 (0.38) PTGDR2MAT2ACETPPTPN5CYP2C9
SCHEMBL21547081 0.96 CETP (0.40) PTGDR2MAT2ACETPPTPN5CYP2C9
SCHEMBL20111876 0.94 PTPN5 (0.40) PTGDR2MAT2ACETPPTPN5CYP2C9
SCHEMBL21546626 0.93 PTGDR2 (0.39) PTGDR2MAT2ACETPPTPN5CYP2C9
SCHEMBL21414156 0.93 ALOX5AP (0.36) PTGDR2MAT2ACETPCYP2C9SCN9A
SCHEMBL21547071 0.92 CETP (0.38) PTGDR2MAT2ACETPPTPN5CYP2C9
SCHEMBL20617429 0.92 RXRA (0.38) PTGDR2MAT2ACETPCYP2C9SCN9A
SCHEMBL21546624 0.91 PTGDR2 (0.37) PTGDR2MAT2ACETPPTPN5CYP2C9
SCHEMBL21928416 0.91 MAT2A (0.40) PTGDR2MAT2ACETPPTPN5CYP2C9
SCHEMBL20848733 0.91 PTPN5 (0.39) PTGDR2MAT2ACETPPTPN5CYP2C9

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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM PTGDR2 379/4885MAT2A 1149/4885CETP 3548/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTGDR2 379/4885MAT2A 1149/4885CETP 3548/4885

“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.