SCHEMBL4382224

SCHEMBL4382224

CCOC(=O)C(C)CC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.37
ALOX15 P16050 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
TRPA1 O75762 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 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
Ozone SCHEMBL6212962 0.90 SOAT1 (0.35) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL918077 0.84 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL10405977 0.82 ALDH1A1 (0.40) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL11106925 0.82 ALDH1A1 (0.40) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL31693092 0.80 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL21129986 0.80 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL2738378 0.80 ALDH1A1 (0.39) ALDH1A1CYP2C19LMNAHSD17B10GAA
SCHEMBL21130051 0.80 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL18465494 0.80 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL356446 0.80 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203194-A Novel compounds useful as STING agonists and uses thereof 北京加科思新药研发有限公司 2023-12-08 CN disclosed
US-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2019-05-23 US disclosed
EP-3478676-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE Orion Corporation (FI) 2019-05-08 EP disclosed
WO-2018002437-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2018-01-04 WO disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
US-20060154930-A1 Substituted amino heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-07-13 US disclosed
US-5536854-A Preparation of 2-methyl-1,4-butanediol and 3-methyltetrahydrofuran BASF AKTIENGESELLSCHAFT (DE) 1996-07-16 US disclosed
US-5530017-A CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA SMITHKLINE BEECHAM CORP (US) 1996-06-25 US disclosed
US-5444080-A Hypotensive agents SMITHKLINE BEECHAM CORPORATION (US) 1995-08-22 US disclosed
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS 1993-11-10 EP disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 EP disclosed
WO-1992002510-A1 SUBSTITUTED [1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 WO disclosed
US-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 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 (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-20060154930-A1 Substituted amino heterocycles as vr-1 antagonists for treating pain OPRL1, OPRM1, OPRK1 ALDH1A1 1626/4885CYP2C19 1869/4885CYP3A4 885/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 2282/4885CYP2C19 446/4885CYP3A4 987/4885
US-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE TBXA2R, ADRA2C, ADRB2 ALDH1A1 93/4885CYP2C19 167/4885CYP3A4 326/4885

“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.