SCHEMBL21735536

SCHEMBL21735536

CC(C)CCCn1c(-c2ccccc2)cc2ccc(O)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
BACE1 P56817 4/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
PDE5A O76074 1/20 0.37
ACLY P53396 2/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 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
SCHEMBL22628833 0.85 ALDH1A1 (0.57) ALDH1A1BACE1MTNR1AMTNR1BL3MBTL1
SCHEMBL21735646 0.84 ALDH1A1 (0.47) ALDH1A1BACE1MTNR1AMTNR1BL3MBTL1
SCHEMBL21735542 0.84 BACE1 (0.51) ALDH1A1BACE1MTNR1AMTNR1BL3MBTL1
SCHEMBL21735692 0.82 MTNR1A (0.58) ALDH1A1MTNR1AMTNR1BL3MBTL1PDE5A
SCHEMBL26292366 0.82 MTNR1A (0.47) ALDH1A1BACE1MTNR1AMTNR1BL3MBTL1
SCHEMBL26298680 0.81 MTNR1A (0.46) ALDH1A1BACE1MTNR1AMTNR1BL3MBTL1
SCHEMBL23893555 0.79 MTNR1A (0.45) ALDH1A1BACE1MTNR1AMTNR1BL3MBTL1
SCHEMBL21735541 0.79 GRIK1 (0.54) ALDH1A1BACE1MTNR1AMTNR1BL3MBTL1
SCHEMBL23395731 0.78 MTNR1A (0.44) ALDH1A1BACE1MTNR1AMTNR1BL3MBTL1
SCHEMBL20473138 0.74 KMT2A (0.66) ALDH1A1L3MBTL1KMT2AESR1ESR2

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 ALDH1A1 1851/4885BACE1 308/4885MTNR1A 3327/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D ALDH1A1 388/4885BACE1 202/4885MTNR1A 1345/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALDH1A1 1851/4885BACE1 308/4885MTNR1A 3327/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 ALDH1A1 803/4885BACE1 883/4885MTNR1A 2807/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 ALDH1A1 803/4885BACE1 883/4885MTNR1A 2807/4885

“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.