SCHEMBL21735538

SCHEMBL21735538

CCCCCn1c(-c2ccccc2)cc2ccc(OC)cc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.64
MTNR1B P49286 3/20 0.64
GRIK1 P39086 1/20 0.59
GRIK2 Q13002 1/20 0.59
CNR2 P34972 4/20 0.45
CNR1 P21554 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TLR8 Q9NR97 1/20 0.43
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL26292363 0.86 MTNR1A (0.52) MTNR1AMTNR1BGRIK1GRIK2TP53
SCHEMBL21735535 0.85 GRIK2 (0.79) MTNR1AMTNR1BGRIK1GRIK2SMN1; SMN2
SCHEMBL21735692 0.85 MTNR1A (0.58) MTNR1AMTNR1BGRIK1GRIK2SMN1; SMN2
SCHEMBL11663572 0.82 ALDH1A1 (0.60) MTNR1AMTNR1BGRIK1GRIK2CNR2
SCHEMBL21735646 0.82 ALDH1A1 (0.47) MTNR1AMTNR1BGRIK1GRIK2CNR2
SCHEMBL11657927 0.82 GRIK1 (0.54) MTNR1AMTNR1BGRIK1GRIK2SMN1; SMN2
SCHEMBL23395689 0.81 MTNR1A (0.47) MTNR1AMTNR1BGRIK1GRIK2CNR2
SCHEMBL10413633 0.81 ALDH1A1 (0.58) MTNR1AMTNR1BGRIK1GRIK2CNR2
SCHEMBL11664571 0.81 ALDH1A1 (0.58) MTNR1AMTNR1BGRIK1GRIK2CNR2
SCHEMBL4847027 0.81 ALDH1A1 (0.58) MTNR1AMTNR1BGRIK1GRIK2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 EP disclosed
EP-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 EP disclosed
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
US-11014900-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583098-B9 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-12 EP disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3583098-B1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-07-23 US disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (5 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885GRIK1 1873/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D MTNR1A 1345/4885MTNR1B 837/4885GRIK1 1140/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885GRIK1 1873/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 MTNR1A 2807/4885MTNR1B 1999/4885GRIK1 1093/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 MTNR1A 2807/4885MTNR1B 1999/4885GRIK1 1093/4885

“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.