SCHEMBL21735672

SCHEMBL21735672

CC(C)n1c(-c2ccccc2)cc2ccc(O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ESR2 Q92731 5/20 0.42
ESR1 P03372 4/20 0.42
BACE1 P56817 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.37
CYP1A2 P05177 2/20 0.36
CASR P41180 1/20 0.36
ADRA2A P08913 3/20 0.35
HTR1A P08908 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35

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
SCHEMBL21244829 0.83 KMT2A (0.41) KMT2ABACE1ALDH1A1KDM4EHSD17B10
SCHEMBL11703292 0.82 KMT2A (0.59) KMT2ABACE1ALDH1A1KDM4EHSD17B10
SCHEMBL22004341 0.81 ACLY (0.46) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL21735537 0.79 GRIK1 (0.51) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL20473138 0.79 KMT2A (0.66) KMT2AESR2ESR1ALDH1A1KDM4E
SCHEMBL21735542 0.78 BACE1 (0.51) KMT2AESR2ESR1BACE1ALDH1A1
SCHEMBL26292357 0.77 MTNR1A (0.40) KMT2ABACE1ALDH1A1KDM4EHSD17B10
SCHEMBL22003826 0.76 ACLY (0.49) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22003812 0.76 ACLY (0.50) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22004307 0.76 ACLY (0.50) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1

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 KMT2A 4264/4885ESR2 3189/4885ESR1 1822/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D KMT2A 4130/4885ESR2 3107/4885ESR1 1260/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 KMT2A 4264/4885ESR2 3189/4885ESR1 1822/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 KMT2A 4122/4885ESR2 3888/4885ESR1 2055/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 KMT2A 4122/4885ESR2 3888/4885ESR1 2055/4885

“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.