SCHEMBL698750

SCHEMBL698750

COc1ccc2c(c1OC)C(=O)OC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
LMNA P02545 1/20 1.00
ACHE P22303 1/20 0.51
CYP3A4 P08684 1/20 0.49
PDE5A O76074 1/20 0.48
PDE4A P27815 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE1C Q14123 1/20 0.48
PDE3A Q14432 1/20 0.48
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
CYP19A1 P11511 2/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL30294185 1.00 KDM4E (1.00) KDM4ELMNAACHECYP3A4PDE5A
SCHEMBL16870472 0.83 KDM4E (0.71) KDM4ELMNAACHECYP3A4PDE5A
SCHEMBL29373878 0.83 KDM4E (0.71) KDM4ELMNACYP3A4PDE5APDE4A
SCHEMBL31619335 0.81 KDM4E (0.69) KDM4ELMNACYP3A4PDE5APDE4A
SCHEMBL10200281 0.81 LMNA (0.69) KDM4ELMNAACHECYP3A4PDE5A
SCHEMBL15902735 0.81 KDM4E (0.69) KDM4ELMNACYP3A4PDE5APDE4A
SCHEMBL1029836 0.80 KDM4E (0.67) KDM4ELMNACYP3A4PDE5APDE4A
SCHEMBL2340155 0.77 KDM4E (0.62) KDM4ELMNAACHENPC1RAB9A
SCHEMBL15680611 0.73 KDM4E (0.57) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL30017306 0.73 PDE1A (0.74) KDM4ELMNAACHECYP3A4PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229639-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS Global Biopharma, Inc. (CA) 2023-08-23 EP claimed
CN-115398011-A Methods for predicting ixabepilone responsiveness in cancer patients 亚拉勒提治疗欧洲私人有限公司 2022-11-25 CN claimed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO claimed
CN-112110932-A Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy 沈阳药科大学 2020-12-22 CN claimed
US-20260114475-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2026-04-30 US disclosed
EP-4593631-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME Mars, Incorporated (US) 2025-08-06 EP disclosed
WO-2024073025-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-04 WO disclosed
EP-4344552-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-03 EP disclosed
CN-117024423-A Synthetic method of 3, 4-dihydro-isocoumarin-beta-carboline hybrid and analogue thereof 伊犁师范大学 2023-11-10 CN disclosed
CN-110008578-B Method, device and system for rapid detection of drugs and determination of drug absorption time 山东国投鸿基检测技术股份有限公司 2023-03-28 CN disclosed
CN-113671078-B Sepsis prognosis model establishing method based on metabonomics 郑州大学第一附属医院 2023-03-03 CN disclosed
CN-115398011-A Methods for predicting ixabepilone responsiveness in cancer patients 亚拉勒提治疗欧洲私人有限公司 2022-11-25 CN disclosed
US-20120049055-A1 DRUG DETECTION EQUIPMENT HITACHI HIGH-TECH CORPORATION (JP) 2012-03-01 US disclosed
EP-2423945-A2 Drug detection equipment Hitachi High-Technologies Corporation (JP) 2012-02-29 EP disclosed
US-20100303935-A1 Medicinal Composition MCGINLEY PARTNERS, LLC (US) 2010-12-02 US disclosed
US-20090263500-A1 Composition and method for treating bedsores, cuts and burns GORINSHTEYN BORIS 2009-10-22 US disclosed
CN-1239547-A pharmaceutical grade botanical drug PHARMAPRINT INC (US) 1999-12-22 CN disclosed
EP-0900375-A1 PHARMACEUTICAL GRADE BOTANICAL DRUGS Pharmaprint, Inc. (US) 1999-03-10 EP disclosed
WO-1997039355-A1 PHARMACEUTICAL GRADE BOTANICAL DRUGS PHARMAPRINT, INC. (US) 1997-10-23 WO disclosed
US-4122202-A ANALGESIC, ANTIEDEMIC SOCIETE CORTIAL (FR) 1978-10-24 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 (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-20100303935-A1 Medicinal Composition MUSK, TNNC1, ACHE KDM4E 3689/4885LMNA 1925/4885ACHE 3/4885
US-20260114475-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME PIGS, TAS2R13, CEL KDM4E 984/4885LMNA 1459/4885ACHE 3373/4885

“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.