SCHEMBL21735530

SCHEMBL21735530

COc1ccc2cc(-c3cccnc3)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.62
CYP11B2 P19099 6/20 0.62
CYP11B1 P15538 5/20 0.62
CYP17A1 P05093 4/20 0.62
APP P05067 2/20 0.59
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 1/20 0.58
PPARG P37231 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
CYP3A4 P08684 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDR P35968 1/20 0.52
MAPT P10636 2/20 0.50
CYP2C9 P11712 2/20 0.50

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
SCHEMBL11803108 0.82 CYP19A1 (0.52) CYP19A1CYP11B2CYP11B1CYP17A1APP
SCHEMBL11803103 0.82 CYP19A1 (0.52) CYP19A1CYP11B2CYP11B1CYP17A1APP
SCHEMBL10899813 0.82 APP (0.57) APPKDM4ENPC1RAB9ACYP3A4
SCHEMBL6822627 0.82 NPC1 (0.66) CYP19A1APPKDM4EMEN1KMT2A
SCHEMBL15867533 0.81 CYP19A1 (0.51) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E
SCHEMBL21735349 0.79 SHBG (0.61) CYP19A1CYP11B2CYP11B1CYP17A1APP
SCHEMBL30461597 0.79 CYP2A6 (0.47) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E
SCHEMBL29993564 0.79 MAOB (0.54) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E
SCHEMBL2960606 0.79 MAOB (0.54) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E
SCHEMBL6748778 0.78 APP (0.64) APPKDM4EMEN1KMT2ANPC1

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