SCHEMBL21735362

SCHEMBL21735362

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
CYP19A1 P11511 10/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
PPARD Q03181 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
F2RL3 Q96RI0 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2E1 P05181 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
SCHEMBL21735322 0.89 RAB9A (0.40) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL21735042 0.89 APP (0.38) APPCYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL21735372 0.88 APP (0.37) APPCYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL21735100 0.87 APP (0.37) APPCYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL21735363 0.86 CYP3A4 (0.34) APPCYP19A1KDM4EMEN1PPARG
SCHEMBL21734972 0.85 CYP19A1 (0.35) APPCYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL21735302 0.84 HDAC1 (0.36) CYP19A1CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL22624925 0.82 NPC1 (0.55) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL21735312 0.82 F2RL3 (0.34) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL21735256 0.81 SIGMAR1 (0.36) APPCYP19A1CYP11B1CYP11B2KDM4E

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 450/4885CYP19A1 2317/4885CYP11B1 2888/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 APP 450/4885CYP19A1 2317/4885CYP11B1 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.