SCHEMBL21547045

SCHEMBL21547045

N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CETP P11597 1/20 0.37
▸ MAT2A P31153 3/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ PRF1 P14222 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL22760862 0.96 PTGDR2 (0.41) KIF11PTGDR2CETPMAT2APTPN5
SCHEMBL22760860 0.94 PTGDR2 (0.39) KIF11PTGDR2CETPMAT2APTPN5
SCHEMBL21547100 0.93 PTGDR2 (0.35) KIF11PTGDR2CETPMAT2APTPN5
SCHEMBL21546524 0.93 ENPP1 (0.37) PTGDR2CETPMAT2APTPN5ENPP1
SCHEMBL22761134 0.93 PTGDR2 (0.35) KIF11PTGDR2CETPMAT2APTPN5
SCHEMBL22761213 0.92 PDK2 (0.40) PTGDR2CETPPTPN5ENPP1PDK2
SCHEMBL22760817 0.92 PDK2 (0.37) KIF11PTGDR2CETPMAT2APTPN5
SCHEMBL22760852 0.90 ENPP1 (0.36) PTGDR2CETPMAT2APTPN5ENPP1
SCHEMBL22760853 0.90 ENPP1 (0.36) PTGDR2CETPMAT2APTPN5ENPP1
SCHEMBL22760861 0.90 PTGDR2 (0.41) KIF11PTGDR2CETPMAT2APTPN5

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 KIF11 2801/4885PTGDR2 379/4885CETP 3548/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM KIF11 2801/4885PTGDR2 379/4885CETP 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.

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