SCHEMBL21735557

SCHEMBL21735557

C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3cccnc3)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
APP P05067 1/20 0.37
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PPARG P37231 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 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
SCHEMBL21735359 0.91 SIGMAR1 (0.38) CYP19A1SIGMAR1CYP11B1CYP11B2APP
SCHEMBL21735414 0.90 NPC1 (0.42) SIGMAR1KDM4EPPARGMEN1KMT2A
SCHEMBL21735738 0.89 SIGMAR1 (0.37) CYP19A1SIGMAR1CYP11B1CYP11B2APP
SCHEMBL21734975 0.88 CYP19A1 (0.37) CYP19A1SIGMAR1CYP11B1CYP11B2APP
SCHEMBL21734954 0.88 SIGMAR1 (0.40) CYP19A1SIGMAR1CYP11B1CYP11B2APP
SCHEMBL21734968 0.88 CYP3A4 (0.34) CYP19A1CYP11B1CYP11B2APPKDM4E
SCHEMBL21735559 0.87 CYP19A1 (0.39) CYP19A1SIGMAR1CYP11B1CYP11B2APP
SCHEMBL26291630 0.85 APP (0.43) CYP19A1SIGMAR1CYP11B1CYP11B2APP
SCHEMBL21735328 0.84 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL21735415 0.83 RAB9A (0.36) MAPTKDM4EMEN1KMT2ANPC1

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 CYP19A1 2317/4885SIGMAR1 1601/4885CYP11B1 2888/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CYP19A1 2317/4885SIGMAR1 1601/4885CYP11B1 2888/4885

“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.