SCHEMBL21735634

SCHEMBL21735634

CCc1cc(Br)ccc1-c1cc2ccc(OC)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
APP P05067 1/20 0.39
CLK1 P49759 3/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HDAC1 Q13547 1/20 0.35
MAPT P10636 3/20 0.35
BACE1 P56817 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
FLT3 P36888 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CRHR1 P34998 1/20 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
SCHEMBL21735627 0.83 NFKB1 (0.45) CA2APPCLK1ESR1ESR2
SCHEMBL21735571 0.83 CA2 (0.46) CA2ESR1ESR2L3MBTL1MAPT
SCHEMBL21735516 0.80 HTR2A (0.39) CA2LMNAMAPTTP53SMN1; SMN2
SCHEMBL205800 0.79 HDAC6 (0.48) CA2APPESR1ESR2MAPT
SCHEMBL21735517 0.77 CA2 (0.38) CA2APPCLK1ESR1ESR2
SCHEMBL226370 0.74 CA2 (0.50) CA2APPESR1ESR2MAPT
SCHEMBL18535552 0.72 CA2 (0.46) CA2APPHDAC1MAPTTP53
SCHEMBL153967 0.72 CA2 (0.40) CA2APPCLK1L3MBTL1MAPT
SCHEMBL21735528 0.72 PTPN1 (0.53) CA2APPHDAC1HDAC6MEN1
SCHEMBL20473171 0.71 MAPT (0.46) CA2APPESR1ESR2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-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.