SCHEMBL4006930

SCHEMBL4006930

CC1(C)OB(c2ccc(F)c(-c3ccc(C#N)cc3F)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.40
LIPG Q9Y5X9 5/20 0.40
EGLN2 Q96KS0 5/20 0.36
ESR2 Q92731 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
EGFR P00533 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ROCK1 Q13464 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BACE1 P56817 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
TDP2 O95551 2/20 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
SCHEMBL20794283 0.95 LPL (0.40) LPLLIPGEGLN2ESR2CYP11B1
SCHEMBL20794291 0.93 LPL (0.43) LPLLIPGEGLN2ESR2CYP11B1
SCHEMBL2648760 0.93 LPL (0.43) LPLLIPGESR2EGFRROCK1
SCHEMBL6924366 0.89 EGFR (0.39) LPLLIPGEGLN2ESR2CYP11B1
SCHEMBL15810291 0.83 LPL (0.48) LPLLIPGESR2EGFRROCK1
SCHEMBL2659727 0.81 LPL (0.46) LPLLIPGESR2EGFRROCK1
SCHEMBL6216928 0.80 LPL (0.38) LPLLIPGESR2EGFRROCK1
SCHEMBL2650626 0.79 LPL (0.41) LPLLIPGESR2CYP11B1CYP11B2
SCHEMBL20904725 0.79 LPL (0.49) LPLLIPGEGFRROCK1IDO1
SCHEMBL31463159 0.78 LIPG (0.45) LPLLIPGESR2CYP11B2

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 7 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-7485640-B2 Imidazopyrazinones as GABA-A receptor anxiolytics MERCK SHARP & DOHME LIMITED (GB) 2009-02-03 US disclosed
US-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic MERCK SHARP & DOHME LTD. (GB) 2006-01-19 US 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 4281/4885EGLN2 3289/4885
US-11600783-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, ALDH1A2 LPL 4686/4885LIPG 2272/4885EGLN2 3267/4885
US-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic GABRA3, GABRA2, GABRA1 LPL 4865/4885LIPG 4885/4885EGLN2 2272/4885

“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.