SCHEMBL21735286

SCHEMBL21735286

C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3cccnc3)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35

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
SCHEMBL21735446 0.91 POLB (0.43) POLBAPEX1HTTTDP1HDAC3
SCHEMBL22628731 0.90 HDAC1 (0.37) POLBAPEX1HTTTDP1HDAC3
SCHEMBL21735328 0.89 CYP19A1 (0.38) POLBAPEX1HTTTDP1HDAC3
SCHEMBL21735298 0.88 HDAC1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL26291783 0.85 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21735622 0.85 F9 (0.41) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL22628823 0.85 CYP11B2 (0.41) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL21735457 0.85 POLB (0.39) POLBAPEX1HTTTDP1HDAC6
SCHEMBL21735282 0.84 HDAC1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21735759 0.83 HDAC1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6

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 POLB 3540/4885APEX1 649/4885HTT 118/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 POLB 3540/4885APEX1 649/4885HTT 118/4885

“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.