SCHEMBL2648760

SCHEMBL2648760

CC1(C)OB(c2ccc(F)c(-c3cc(C#N)ccc3F)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.43
LIPG Q9Y5X9 9/20 0.43
ESR2 Q92731 1/20 0.38
EGFR P00533 1/20 0.36
BACE1 P56817 1/20 0.36
ROCK1 Q13464 1/20 0.36
PGR P06401 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TDP2 O95551 2/20 0.33
GRM5 P41594 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
SCHEMBL4006930 0.93 LPL (0.40) LPLLIPGESR2EGFRBACE1
SCHEMBL20794283 0.93 LPL (0.40) LPLLIPGESR2EGFRBACE1
SCHEMBL6924366 0.90 EGFR (0.39) LPLLIPGESR2EGFRBACE1
SCHEMBL20794291 0.86 LPL (0.43) LPLLIPGESR2EGFRROCK1
SCHEMBL2652740 0.83 LPL (0.38) LPLLIPGESR2EGFRBACE1
SCHEMBL2650626 0.82 LPL (0.41) LPLLIPGESR2EGFRROCK1
SCHEMBL2659727 0.81 LPL (0.46) LPLLIPGESR2EGFRROCK1
SCHEMBL15810291 0.81 LPL (0.48) LPLLIPGESR2EGFRROCK1
SCHEMBL6216928 0.80 LPL (0.38) LPLLIPGESR2EGFRROCK1
SCHEMBL20904725 0.79 LPL (0.49) LPLLIPGEGFRROCK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11600783-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-07 US disclosed
EP-3672956-B1 ORGANIC TRIAZINE CONTAINING MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-06-02 EP disclosed
US-20200235308-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 US disclosed
WO-2019063288-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELCTRONIC DEVICES CYNORA GMBH (DE) 2019-04-04 WO disclosed
WO-2019038448-A1 ORGANIC TRIAZINE CONTAINING MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-02-28 WO disclosed
US-6960598-B2 (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. 2005-11-01 US disclosed
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 WO 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-20200235308-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 LPL 4853/4885LIPG 4281/4885ESR2 383/4885
US-11600783-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, ALDH1A2 LPL 4686/4885LIPG 2272/4885ESR2 862/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 LPL 3649/4885LIPG 4342/4885ESR2 1168/4885

“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.