SCHEMBL21735359

SCHEMBL21735359

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
APP P05067 1/20 0.38
CYP19A1 P11511 7/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARG P37231 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PPARD Q03181 1/20 0.34
NAMPT P43490 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
SCHEMBL21735557 0.91 CYP19A1 (0.37) SIGMAR1APPCYP19A1CYP11B1CYP11B2
SCHEMBL21734960 0.90 NPC1 (0.42) SIGMAR1KDM4EPPARGMEN1KMT2A
SCHEMBL21734954 0.89 SIGMAR1 (0.40) SIGMAR1APPCYP19A1CYP11B1CYP11B2
SCHEMBL22628754 0.88 SIGMAR1 (0.38) SIGMAR1APPCYP19A1CYP11B1CYP11B2
SCHEMBL21735380 0.87 CYP3A4 (0.34) APPCYP19A1MAPTKDM4EPPARG
SCHEMBL26291630 0.85 APP (0.43) SIGMAR1APPCYP19A1CYP11B1CYP11B2
SCHEMBL22628731 0.83 HDAC1 (0.37) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL21735053 0.83 APP (0.38) SIGMAR1APPCYP19A1CYP11B1CYP11B2
SCHEMBL21735227 0.83 APP (0.38) SIGMAR1APPCYP19A1CYP11B1CYP11B2
SCHEMBL21734961 0.83 RAB9A (0.36) APPMAPTKDM4EMEN1KMT2A

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 SIGMAR1 1601/4885APP 450/4885CYP19A1 2317/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 SIGMAR1 1601/4885APP 450/4885CYP19A1 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.