SCHEMBL21735517

SCHEMBL21735517

COc1ccc2cc(-c3ccc(Br)cc3OC(F)(F)F)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
APP P05067 1/20 0.37
CLK1 P49759 3/20 0.36
CRHR1 P34998 1/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
RAB9A P51151 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL21735627 0.87 NFKB1 (0.45) CA2APPCLK1TP53NFKB1
SCHEMBL23395681 0.84 ESR1 (0.32) TP53NFKB1SMN1; SMN2ESR1ESR2
SCHEMBL23395700 0.83 ESR1 (0.50) CA2APPESR1ESR2HRH4
SCHEMBL25900713 0.83 HRH4 (0.34) CA2ESR1ESR2HRH4HDAC6
SCHEMBL21735847 0.79 HTR2A (0.39) CA2CLK1CRHR1GAAALOX15
SCHEMBL21735634 0.77 CA2 (0.43) CA2APPCLK1CRHR1TP53
SCHEMBL205800 0.76 HDAC6 (0.48) CA2APPTP53NFKB1SMN1; SMN2
SCHEMBL15954185 0.76 HDAC6 (0.51) CA2APPTP53NFKB1SMN1; SMN2
SCHEMBL21735257 0.74 PTPN1 (0.56) CA2APPHDAC6NPC1RAB9A
SCHEMBL7108637 0.72 APP (0.53) CA2APPTP53NFKB1SMN1; SMN2

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 8 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
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP 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 (3 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 CA2 3899/4885APP 450/4885CLK1 4229/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D CA2 2155/4885APP 899/4885CLK1 3532/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CA2 3899/4885APP 450/4885CLK1 4229/4885

“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.