SCHEMBL1019684

SCHEMBL1019684

CCOC(=O)C1CCc2ccc(O)cc2O1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.62
CYP4A11 Q02928 1/20 0.62
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL29586758 1.00 CYP4F2 (0.62) CYP4F2CYP4A11ESR1ESR2DRD2
SCHEMBL9838425 1.00 CYP4F2 (0.62) CYP4F2CYP4A11ESR1ESR2DRD2
SCHEMBL9837746 1.00 CYP4F2 (0.62) CYP4F2CYP4A11ESR1ESR2DRD2
SCHEMBL10508228 0.90 CYP4F2 (0.73) CYP4F2CYP4A11ESR1ESR2
SCHEMBL12660944 0.88 CYP4F2 (0.64) CYP4F2CYP4A11
SCHEMBL31562259 0.86 CYP4F2 (0.49) CYP4F2CYP4A11
SCHEMBL1044067 0.86 CYP4F2 (0.61) CYP4F2CYP4A11
SCHEMBL20730230 0.86 CYP4F2 (0.68) CYP4F2CYP4A11DRD2DRD3
SCHEMBL1020122 0.86 CYP4F2 (0.61) CYP4F2CYP4A11
SCHEMBL6631393 0.86 CYP4F2 (0.61) CYP4F2CYP4A11

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051931-A1 HDAC INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-02-15 US disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
WO-2022120048-A1 HDAC INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-06-09 WO disclosed
WO-2022120048-A1 HDAC INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-06-09 WO disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
WO-2020162612-A1 PYRIDINE COMPOUND SUBSTITUTED BY HETEROARYL 大正製薬株式会社 2020-08-13 WO 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
EP-2885285-B1 PYRAZOLE DRIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-10-19 EP disclosed
US-9403830-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-02 US disclosed
WO-2002026729-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-04-04 WO disclosed
EP-0533695-B1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY PFIZER (US) 1994-10-05 EP disclosed
US-5322847-A Inhibit platelet activating factor, block leukotriene D4 receptors PFIZER INC. (US) 1994-06-21 US disclosed
EP-0533695-A1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY. PFIZER (US) 1993-03-31 EP disclosed
CN-1057839-A The azepine benzoglyoxaline that is used for the treatment of asthma, sacroiliitis and relative disease PFIZER (US) 1992-01-15 CN disclosed
WO-1991017163-A1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY PFIZER INC. (US) 1991-11-14 WO disclosed
US-5037747-A Production of benzopyran-2-carboxylic acids and esters by enzymatic hydrolysis HOFFMANN-LA ROCHE INC. (US) 1991-08-06 US disclosed
US-4788214-A ANTIALLERGENS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4785017-A ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1988-11-15 US disclosed
EP-0129906-B1 PHENOXYALKOXY-3,4-DIHYDRO-2H-1-BENZOPYRAN DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-06-08 EP 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 (3 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 2/4885ESR1 892/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885ESR1 892/4885
US-20240051931-A1 HDAC INHIBITORS HDAC8, HDAC1, HDAC2 CYP4F2 4724/4885CYP4A11 3805/4885ESR1 1848/4885

“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.