SCHEMBL21735440

SCHEMBL21735440

C=C(C)C(=O)OC1CCC(Oc2ccc3cc(-c4cccnc4)sc3c2)C1(C)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
ABL1 P00519 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
HDAC4 P56524 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
SCHEMBL21734994 0.91 ESR1 (0.35) HDAC6
SCHEMBL21735437 0.89 HDAC1 (0.35) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL22630037 0.88 HDAC1 (0.35) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21734945 0.84 SOAT2 (0.35) KDM4E
SCHEMBL21734987 0.83
SCHEMBL21734989 0.83 HDAC1 (0.36) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL22628752 0.82 HDAC3 (0.31) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735173 0.81 ALDH1A1 (0.32) CYP11B1CYP11B2ABL1ALDH1A1LMNA
SCHEMBL21735443 0.80
SCHEMBL21734990 0.79 ESR1 (0.35) HDAC6

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 2 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
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.