SCHEMBL21735100

SCHEMBL21735100

C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3cccnc3)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
CYP19A1 P11511 8/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
PRKDC P78527 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.34
MAPT P10636 1/20 0.34
PPARD Q03181 1/20 0.34
S1PR1 P21453 1/20 0.33

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
SCHEMBL21735096 0.89 RAB9A (0.40) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL21735042 0.88 APP (0.38) APPSIGMAR1CYP19A1CYP11B1CYP11B2
SCHEMBL21735362 0.87 APP (0.37) APPSIGMAR1CYP19A1CYP11B1CYP11B2
SCHEMBL21734972 0.87 CYP19A1 (0.35) APPSIGMAR1CYP19A1CYP11B1CYP11B2
SCHEMBL21735736 0.86 CYP2E1 (0.33) CYP19A1KDM4EKMT2AMEN1PPARG
SCHEMBL22628754 0.86 SIGMAR1 (0.38) APPSIGMAR1CYP19A1CYP11B1CYP11B2
SCHEMBL21735223 0.83 CYP19A1 (0.36) APPSIGMAR1CYP19A1CYP11B1CYP11B2
SCHEMBL21734956 0.83 SIGMAR1 (0.40) APPSIGMAR1CYP19A1CYP11B1CYP11B2
SCHEMBL21735460 0.82 HDAC1 (0.38) CYP19A1CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL21735390 0.82 THRB (0.39) SIGMAR1KDM4EALDH1A1HPGDSMN1; SMN2

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