SCHEMBL21735541

SCHEMBL21735541

CCn1c(-c2ccccc2)cc2ccc(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.54
GRIK2 Q13002 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 3/20 0.46
BACE1 P56817 4/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL21735646 0.84 ALDH1A1 (0.47) GRIK1GRIK2L3MBTL1ALDH1A1BACE1
SCHEMBL21735542 0.84 BACE1 (0.51) GRIK1GRIK2L3MBTL1ALDH1A1BACE1
SCHEMBL11312995 0.83 L3MBTL1 (0.53) GRIK1GRIK2L3MBTL1ALDH1A1BACE1
SCHEMBL21244780 0.83 GRIK1 (0.58) GRIK1GRIK2L3MBTL1ALDH1A1BACE1
SCHEMBL31413549 0.82 GRIK1 (0.65) GRIK1GRIK2L3MBTL1ALDH1A1BACE1
SCHEMBL1171837 0.82 GRIK1 (0.65) GRIK1GRIK2L3MBTL1ALDH1A1BACE1
SCHEMBL22004340 0.81 L3MBTL1 (0.51) GRIK1GRIK2L3MBTL1ALDH1A1MTNR1A
SCHEMBL11317638 0.80 L3MBTL1 (0.50) GRIK1GRIK2L3MBTL1ALDH1A1BACE1
SCHEMBL21735536 0.79 ALDH1A1 (0.45) GRIK1GRIK2L3MBTL1ALDH1A1BACE1
SCHEMBL21735535 0.79 GRIK2 (0.79) GRIK1GRIK2L3MBTL1ALDH1A1MTNR1A

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-11014900-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
US-11014901-B2 Hydrophobic 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 GRIK1 1873/4885GRIK2 2281/4885L3MBTL1 3848/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D GRIK1 1140/4885GRIK2 1655/4885L3MBTL1 4342/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 GRIK1 1873/4885GRIK2 2281/4885L3MBTL1 3848/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 GRIK1 1093/4885GRIK2 1460/4885L3MBTL1 4715/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 GRIK1 1093/4885GRIK2 1460/4885L3MBTL1 4715/4885

“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.