SCHEMBL21735528

SCHEMBL21735528

CCc1cc(Br)ccc1-c1cc2ccc(OC)cc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MAOB P27338 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CA12 O43570 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA1 P00915 1/20 0.44
AKR1B1 P15121 1/20 0.44
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44

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
SCHEMBL18554418 0.85 MAOB (0.57) ALDH1A1HPGDMAOBKDM4ECA12
SCHEMBL20473134 0.83 PTPN1 (0.53) PTPN1ALDH1A1HPGDMAOBKDM4E
SCHEMBL21735192 0.83 PTPN1 (0.71) PTPN1ALDH1A1HPGDMAOBKDM4E
SCHEMBL30568050 0.83 PTPN1 (0.53) PTPN1ALDH1A1HPGDMAOBKDM4E
SCHEMBL20473355 0.80 ALOX5 (0.51) PTPN1ALDH1A1HPGDMAOBKDM4E
SCHEMBL22630076 0.80 SLC6A4 (0.34) PTPN1ALDH1A1HPGDMAOBKDM4E
SCHEMBL20473173 0.78 MAOB (0.58) PTPN1ALDH1A1HPGDMAOBKDM4E
SCHEMBL20473374 0.77 MAOB (0.46) PTPN1MAOBGABRPGABRDGABRA1
SCHEMBL30568042 0.77 MAOB (0.46) PTPN1MAOBGABRPGABRDGABRA1
SCHEMBL21735257 0.77 PTPN1 (0.56) PTPN1ALDH1A1HPGDMAOBKDM4E

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 PTPN1 4838/4885ALDH1A1 1851/4885HPGD 189/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D PTPN1 4651/4885ALDH1A1 388/4885HPGD 440/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PTPN1 4838/4885ALDH1A1 1851/4885HPGD 189/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 PTPN1 4781/4885ALDH1A1 803/4885HPGD 69/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 PTPN1 4781/4885ALDH1A1 803/4885HPGD 69/4885

“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.