SCHEMBL20730211

SCHEMBL20730211

CCOC(=O)C(C)(C)OCCCOCCCCO

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.97
CYP4A11 Q02928 5/20 0.97
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
THRB P10828 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 6/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL23309176 0.98 CYP4F2 (1.00) CYP4F2CYP4A11GAATSHRABCB11
SCHEMBL20730190 0.94 CYP4F2 (0.91) CYP4F2CYP4A11GAATSHRABCB11
SCHEMBL4917937 0.79 CYP4F2 (0.67) CYP4F2CYP4A11TSHRABCB11CYP1A2
SCHEMBL11787429 0.78 CYP4F2 (0.66) CYP4F2CYP4A11GAATSHRABCB11
SCHEMBL21069073 0.77 CYP4F2 (0.60) CYP4F2CYP4A11TSHRTHRBHTT
SCHEMBL5855853 0.77 CYP4F2 (0.64) CYP4F2CYP4A11GAATSHRABCB11
SCHEMBL5855704 0.77 CYP4F2 (0.64) CYP4F2CYP4A11GAATSHRABCB11
SCHEMBL21068580 0.76 CYP4F2 (0.63) CYP4F2CYP4A11GAATSHRTHRB
SCHEMBL14960350 0.75 CYP4F2 (0.61) CYP4F2CYP4A11GAATSHRABCB11
SCHEMBL21068275 0.74 CYP4F2 (0.60) CYP4F2CYP4A11TSHRABCB11CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN disclosed
WO-2019031618-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE 大正製薬株式会社 2019-02-14 WO 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885GAA 3192/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885GAA 3192/4885

“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.