SCHEMBL21735199

SCHEMBL21735199

COC(=O)C(Br)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
IDH1 O75874 1/20 0.36
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
LPAR1 Q92633 1/20 0.36
EPHX2 P34913 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PTPN1 P18031 1/20 0.34
PTGFR P43088 3/20 0.34

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
SCHEMBL23395579 0.85 NPC1 (0.41) LPAR1ALDH1A1HPGD
SCHEMBL21735625 0.84 LPAR1 (0.45) LPAR1ALDH1A1HPGD
SCHEMBL23395540 0.81 KCNK3 (0.46) KCNK3KCNK9EPHX2ALDH1A1HPGD
SCHEMBL14720336 0.78 APLNR (0.47) ALDH1A1
SCHEMBL27757778 0.77 HRH4 (0.42) ALPLMAOAMAOBKCNK3KCNK9
SCHEMBL5757330 0.77 ALPL (0.41) ALPLMAOAMAOBKCNK3KCNK9
SCHEMBL12868653 0.76 HRH4 (0.43) ALPLMAOAMAOBKCNK3KCNK9
SCHEMBL31266265 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18103273 0.75 MAPK1 (0.43) ALDH1A1HPGD
SCHEMBL15766202 0.74 NR4A2 (0.46) ALDH1A1HPGD

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 ALPL 3459/4885MAOA 2922/4885MAOB 3207/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D ALPL 1184/4885MAOA 257/4885MAOB 372/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALPL 3459/4885MAOA 2922/4885MAOB 3207/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 ALPL 2045/4885MAOA 2432/4885MAOB 2735/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 ALPL 2045/4885MAOA 2432/4885MAOB 2735/4885

“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.