SCHEMBL21735524

SCHEMBL21735524

OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3cccnc3)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.40
CYP11B1 P15538 6/20 0.40
CYP19A1 P11511 5/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP17A1 P05093 4/20 0.35
NPY5R Q15761 2/20 0.35
CYP2A6 P11509 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 1/20 0.34
OPRM1 P35372 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
SCHEMBL22629242 0.91 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1F9F10
SCHEMBL21735007 0.86 CYP11B1 (0.38) CYP11B2CYP11B1CYP19A1F9F10
SCHEMBL21735002 0.86 HDAC1 (0.36) CYP11B2CYP11B1CYP19A1F9F10
SCHEMBL21735629 0.83 CYP11B2 (0.39) CYP11B2CYP11B1CYP19A1F9F10
SCHEMBL22628795 0.80 F9 (0.34) CYP11B2CYP11B1CYP19A1F9F10
SCHEMBL21735431 0.80 CYP19A1 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL21735674 0.79 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1F9F10
SCHEMBL21735328 0.77 CYP19A1 (0.38) CYP11B2CYP11B1CYP19A1F9F10
SCHEMBL22630094 0.77 CYP19A1 (0.38) CYP11B2CYP11B1CYP19A1F9F10
SCHEMBL21735622 0.76 F9 (0.41) CYP11B2CYP11B1CYP19A1F9F10

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 CYP11B2 2816/4885CYP11B1 2888/4885CYP19A1 2317/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CYP11B2 2816/4885CYP11B1 2888/4885CYP19A1 2317/4885

“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.