SCHEMBL21734992

SCHEMBL21734992

C=CC(=O)OC1CCC(Oc2ccc3cc(-c4cccnc4)sc3c2)C1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
HDAC4 P56524 1/20 0.34
ABL1 P00519 7/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
FAAH O00519 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
SCN9A Q15858 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL21735295 0.90 ESR1 (0.38) HDAC6HDAC2ALDH1A1MAPT
SCHEMBL21734989 0.87 HDAC1 (0.36) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL22628850 0.86 HDAC1 (0.37) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21734940 0.83 CYP11B1 (0.36) CYP11B1CYP11B2ABL1OPRM1KCNH2
SCHEMBL21735437 0.82 HDAC1 (0.35) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735317 0.80 FGFR1 (0.33)
SCHEMBL21734993 0.78 FGFR1 (0.33)
SCHEMBL21735460 0.77 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735310 0.77 ESR1 (0.37) HDAC6HDAC2KDM4EALDH1A1MAPT
SCHEMBL21735790 0.75 HDAC1 (0.37) HDAC1HDAC6HDAC3HDAC2HDAC8

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 HDAC1 2135/4885HDAC6 1975/4885HDAC3 1380/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HDAC1 2135/4885HDAC6 1975/4885HDAC3 1380/4885

“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.