SCHEMBL21735646

SCHEMBL21735646

CCCCCn1c(-c2ccccc2)cc2ccc(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.42
BACE1 P56817 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL20476730 0.85 ALDH1A1 (0.51) ALDH1A1MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL21735541 0.84 GRIK1 (0.54) ALDH1A1MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL11663572 0.84 ALDH1A1 (0.60) ALDH1A1MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL21735536 0.84 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL11664571 0.83 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL10413633 0.83 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL4847027 0.83 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL20476658 0.83 ALDH1A1 (0.49) ALDH1A1MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL21735538 0.82 MTNR1A (0.64) ALDH1A1MTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL26292363 0.81 MTNR1A (0.52) ALDH1A1MTNR1AMTNR1BTP53GRIK1

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 ALDH1A1 1851/4885MTNR1A 3327/4885MTNR1B 2622/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D ALDH1A1 388/4885MTNR1A 1345/4885MTNR1B 837/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALDH1A1 1851/4885MTNR1A 3327/4885MTNR1B 2622/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 ALDH1A1 803/4885MTNR1A 2807/4885MTNR1B 1999/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 ALDH1A1 803/4885MTNR1A 2807/4885MTNR1B 1999/4885

“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.